N-(Carboxymethyl)-N-(phosphonomethyl)glycine

HCID 80092CAS 5994-61-6

基本情報

標準SMILES: O=C(O)CN(CC(=O)O)CP(=O)(O)O
InChIKey: AZIHIQIVLANVKD-UHFFFAOYSA-N
分子式: C5H10NO7P
平均分子量: 227.11 g/mol
単同位体質量: 227.01948829

概要

N-(phosphonomethyl)iminodiacetic acid is a tertiary amino compound that consists of iminodiacetic acid bearing an N-phosphonomethyl substituent. It is a glycine derivative, a member of phosphonic acids, an amino dicarboxylic acid and a tertiary amino compound.

名称と識別子

優先名称: N-(Carboxymethyl)-N-(phosphonomethyl)glycine
IUPAC: 2-[carboxymethyl(phosphonomethyl)amino]acetic acid

名称と別名

5994-61-6N-(Carboxymethyl)-N-(phosphonomethyl)glycineN-(phosphonomethyl)iminodiacetic acidPhosphonomethyliminodiacetic acid2,2'-[(phosphonomethyl)imino]diacetic acidGlycine, N-(carboxymethyl)-N-(phosphonomethyl)-PMIDACHEBI:63485AN335F415XEINECS 227-824-5DTXSID3027611EC 227-824-5

名称をさらに表示

NITRILOTRIS(METHYLENE) TRIPHONIC ACIDAMINOMETHYLPHOSPHONIC N,N-DIACETIC ACIDNITRILODIACETIC ACID METHYLPHOSPHONIC ACIDACETIC ACID, ((PHOSPHONOMETHYL)IMINO)DI-2,2'-((phosphonomethyl)imino)diacetic acidRefChem:828383DTXCID607611227-824-5

データベース識別子

CAS: 5994-61-6
PubChem CID: 80092
DTXSID: DTXSID3027611
ChEMBL: CHEMBL5396533
ChEBI: CHEBI:63485
UNII: AN335F415X
EC Number: 227-824-5
Nikkaji: J223.930B

物性

構造計算による物性

XLogP: -4.6
極性表面積: 135 Å²
水素結合供与体数: 4
水素結合受容体数: 8
回転可能結合数: 6
重原子数: 14
形式電荷: 0
複雑度: 255

実験および物理化学的性質

Physical DescriptionDry Powder; Wet Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (95.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-

Glycine, N-(carboxymethyl)-N-(phosphonomethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N-(carboxymethyl)-N-(phosphonomethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/13577

Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (95.1%)