CAS 5657-17-0|({2-[(carboxymethyl)amino]ethyl}amino)acetic acid|2-({2-[(carboxymethyl)amino]ethyl}amino)acetic acid|EDDA|ETHYLENEDIAMINE-N,N'-DIACETIC ACID|N,N'-Ethylenediglycine|N,N′-乙烯二甘氨酸|...

General Information

Structure

Molecular Formula

C₆H₁₂N₂O₄

Molecular Mass

176.17048

Exact Mass

176.07970687

Charge

InChI

InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)

InChIKey

IFQUWYZCAGRUJN-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CNCCNCC(=O)O

Isomeric Smiles

OC(=O)CNCCNCC(=O)O

Calculated Properties

JChem

LogD (pH = 7.4)

-6.87

LogD (pH = 5.5)

-6.38

Log P

-6.37

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

1.36

Polar Surface Area

98.66

Polarizability

17.01

Molar Refractivity

39.59

LOG S

0.61

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

({2-[(carboxymethyl)amino]ethyl}amino)acetic acid ethylenediaminediacetic acid

Synonyms

EDDAETHYLENEDIAMINE-N,N'-DIACETIC ACIDN,N'-EthylenediglycineN,N′-乙烯二甘氨酸Ethylenediamine-N,N′-diacetic acid乙二胺-N,N′-二乙酸N,N′-Ethylenediglycineethylenediaminediacetic acid1,2-Bis(carboxymethylamino)ethaneN,N'-Ethylenediaminediacetic acid2,2'-(ethane-1,2-diyldiazanediyl)diacetic acidethylenediamine-N,N'-diacetic acid((2-[(Carboxymethyl)amino]ethyl)amino)acetic acidEthylenediamine-N,N'-di(acetic acid)EDDAN,N'-Ethylenediglycine

IUPAC name

2-({2-[(carboxymethyl)amino]ethyl}amino)acetic acid

Names and Identifiers

Registration numbers

CAS Number

5657-17-0

EC Number

227-105-6

PubChem CID

61975

PubChem SID

162090589248497222484551185332059