N-methyliminodiacetic acid

HCID 20441CAS 4408-64-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(CC(=O)O)CC(=O)O
InChIKey: XWSGEVNYFYKXCP-UHFFFAOYSA-N
分子式: C5H9NO4
平均分子量: 147.13 g/mol
単同位体質量: 147.05315777

概要

structure in first source

名称と識別子

優先名称: N-methyliminodiacetic acid
IUPAC: 2-[carboxymethyl(methyl)amino]acetic acid

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: -3.3
極性表面積: 77.8 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 10
形式電荷: 0
複雑度: 129

安全と法規制

GHS分類

GHS Classification · 4 件

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.