N-methyliminodiacetic acid

HCID 20441CAS 4408-64-4

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Grundinformationen

Standard-SMILES: CN(CC(=O)O)CC(=O)O
InChIKey: XWSGEVNYFYKXCP-UHFFFAOYSA-N
Summenformel: C5H9NO4
Durchschnittliche Molmasse: 147,13 g/mol
Monoisotopische Masse: 147,05315777

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: N-methyliminodiacetic acid
IUPAC: 2-[carboxymethyl(methyl)amino]acetic acid

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,3
Polarare Oberfläche (TPSA): 77,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.