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Iminodiacetic acid
142-73-4 | DTXSID2027098

Searched by CAS-RN: Found 1 result for '142-73-4'.

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Intrinsic Properties

Molecular Formula: C4H7NO4

Average Mass: 133.103 g/mol

Monoisotopic Mass: 133.037508 g/mol

Structural Identifiers

IUPAC Name: 2,2'-Azanediyldiacetic acid

SMILES: OC(=O)CNCC(O)=O

InChI String: InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)

InChIKey: NBZBKCUXIYYUSX-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID2027098 (accessed July 19, 2018), Iminodiacetic acid

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

-2.00 (5)

-

-2.02

-

-3.27 to -1.03

-

Water Solubility

-

2.93 (4)

-

2.80

-

6.59e-01 to 5.47

mol/L

Density

-

1.43 (2)

-

1.43

-

1.42 to 1.44

g/cm^3

Flash Point

-

175 (2)

-

175

-

171 to 178

°C

Melting Point

245 (5)

203 (4)

243

218

243 to 248

136 to 240

°C

Boiling Point

-

325 (5)

-

318

-

277 to 371

°C

Surface Tension

-

50.9 (2)

-

50.9

-

37.0 to 64.8

dyn/cm

Thermal Conductivity

-

207 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

4.17e-06 (4)

-

1.62e-06

-

1.03e-06 to 1.24e-05

mmHg

Viscosity

-

16.2 (1)

- - - -

cP

LogKoa: Octanol-Air

-

7.26 (1)

- - - - -

Henry's Law

-

5.72e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.50 (1)

- - - - -

Molar Refractivity

-

27.3 (1)

- - - -

cm^3

Molar Volume

-

92.6 (1)

- - - -

cm^3

Polarizability

-

10.8 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-2.00 (5)

-2.02

-3.27 to -1.03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-3.27

Not Available

Not Available

NICEATM

-2.29

Not Available

Available

ACD/Labs Consensus

-1.03

Not Available

Not Available

ACD/Labs

-1.40

Not Available

Not Available

OPERA

-2.02

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.93 (4)

2.80

6.59e-01 to 5.47

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.57 mol/L

Not Available

Not Available

NICEATM

5.47 mol/L

Not Available

Available

TEST

2.03 mol/L

TEST Report

Not Available

OPERA

6.59e-01 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.43 (2)

1.43

1.42 to 1.44

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.44 g/cm^3

Not Available

Not Available

TEST

1.42 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

175 (2)

175

171 to 178

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

178 °C

Not Available

Not Available

TEST

171 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

245 (5)

243

243 to 248

Predicted

203 (4)

218

136 to 240

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

248 °C

Biosynth

243 °C

Alfa Aesar

243 °C

Alfa Aesar

243 °C

PhysPropNCCT

248 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

206 °C

Not Available

Not Available

NICEATM

230 °C

Not Available

Available

TEST

136 °C

TEST Report

Not Available

OPERA

240 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

325 (5)

318

277 to 371

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

346 °C

Not Available

Not Available

NICEATM

277 °C

Not Available

Available

ACD/Labs

371 °C

Not Available

Not Available

TEST

313 °C

TEST Report

Not Available

OPERA

318 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

50.9 (2)

50.9

37.0 to 64.8

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

64.8 dyn/cm

Not Available

Not Available

TEST

37.0 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

207 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

207 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

4.17e-06 (4)

1.62e-06

1.03e-06 to 1.24e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.24e-05 mmHg

Not Available

Available

ACD/Labs

1.65e-06 mmHg

Not Available

Not Available

TEST

1.03e-06 mmHg

TEST Report

Not Available

OPERA

1.58e-06 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

16.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

16.2 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

7.26 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.26

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

5.72e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.72e-10 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.50 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.50

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

27.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

27.3 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

92.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

92.6 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

10.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

10.8 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

46.4 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

3.13e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.46 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

8.87e-02 (1)

- - - -

days

Bioconcentration Factor

-

1.36 (3)

-

1.01e-01

-

9.55e-02 to 3.90

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

46.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

46.4 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

3.13e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.13e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.46 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.46 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

8.87e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.87e-02 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.36 (3)

1.01e-01

9.55e-02 to 3.90

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.01e-01

Not Available

Available

TEST

9.55e-02

TEST Report

Not Available

OPERA

3.90

OPERA Model Report

Available

Found 38 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Iminodiacetic acid
2,2'-Azanediyldiacetic acid
Glycine, N-(carboxymethyl)-
142-73-4 Active CAS-RN
Glycine, N-(carboxymethyl)-
2,2'-Iminodiacetic acid
Acetic acid, 2,2'-iminobis-
((Carboxymethyl)amino)acetic acid
Acetic acid, iminodi-
Acide iminodi(acetique)
acido iminodi(acetico)
Aminodiacetic acid
Diglycin
Diglycine
Diglycocoll
Dimethyl aminobis(acetate)
Iminobis(acetic acid)
iminodi(acetic acid)
Iminodi(essigsaure)
IMINODIESSIGSAEURE
Iminodiethanoic acid
N-(Carboxymethyl)glycine
NSC 18467
α-Iminodiacetic acid
BRN 0878499
Diglykokoll
EINECS 205-555-4
Hampshire
IDA (VAN)
UNII-XQM2L81M8Z FDA Registry Number
2-[(carboxymethyl)amino]acetic acid
IDA
Iminodiacetate
N-(Carboxymethyl)- glycine
bis(carboxymethyl)amine
diglycocoll
57759-17-8 Deleted CAS-RN
1404190-36-8 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

6177th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.40e-07

1.13e-05

Ages 12-19

9.54e-08

6.09e-06

Ages 20-65

8.18e-08

1.05e-05

Ages 65+

9.16e-08

7.03e-06

BMI > 30

7.95e-08

6.68e-06

BMI < 30

1.06e-07

6.82e-06

Repro. Age Females

9.06e-08

7.06e-06

Females

8.84e-08

7.23e-06

Males

9.09e-08

7.10e-06

Total

8.62e-08

6.61e-06

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