N-methyliminodiacetic acid

HCID 20441

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Basic information

CAS: 4408-64-4
Standard SMILES: CN(CC(=O)O)CC(=O)O
InChIKey: XWSGEVNYFYKXCP-UHFFFAOYSA-N
Molecular formula: C5H9NO4
Average molar mass: 147.13 g/mol
Monoisotopic mass: 147.05315777

Overview

structure in first source

Names & identifiers

Preferred name: N-methyliminodiacetic acid
IUPAC: 2-[carboxymethyl(methyl)amino]acetic acid

Names & synonyms

N-METHYLIMINODIACETIC ACID4408-64-4Glycine, N-(carboxymethyl)-N-methyl-SH1YP5H4NANSC-11773DTXSID00196033RefChem:830727DTXCID10118524Methyliminodiacetic acid2,2'-(methylazanediyl)diacetic acidMIDA2-[carboxymethyl(methyl)amino]acetic acid

Show more names

Methylimidodiacetic acidMFCD00004284(Methylimino)diacetic acidAcetic acid, (methylimino)di-[(Carboxymethyl)(methyl)amino]acetic acidN-(carboxymethyl)-N-methylGlycineNSC11773EINECS 224-557-6

Database identifiers

CAS: 4408-64-4
PubChem CID: 20441
DTXSID: DTXSID00196033
ChEMBL: CHEMBL1741474
UNII: SH1YP5H4NA
EC Number: 224-557-6
Nikkaji: J135.883I

Properties

Computed structural propertiesFilling in

XLogP: -3.3
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.