Hydantoic acid

HCID 10020CAS 462-60-2

기본 정보

표준 SMILES: NC(=O)NCC(=O)O
InChIKey: KZVRXPPUJQRGFN-UHFFFAOYSA-N
분자식: C3H6N2O3
평균 분자량: 118.09 g/mol
단동위원소 질량: 118.03784205

개요

N-carbamoylglycine is a member of the class of ureas obtained by formal condensation of the carboxy group of carbamic acid with the amino group of glycine. It has a role as a xenobiotic metabolite and a rat metabolite. It is a N-acylglycine, a monocarboxylic acid and a member of ureas. It is functionally related to a glycine. It is a conjugate acid of a N-carbamoylglycinate.

이름 및 식별자

우선 이름: Hydantoic acid
IUPAC: 2-(carbamoylamino)acetic acid
영어명: Hydantoic acid
분자식: C3H6N2O3
분자량: 118.09

이름 및 동의어

Hydantoic acid462-60-2N-CarbamoylglycineCarbamoylglycineGlycoluric acidN-CarbamylglycineAcetic acid, ureido-Glycine, N-(aminocarbonyl)-Urea, (carboxymethyl)-Acetic acid, ((aminocarbonyl)amino)-CB 1636Q4F314U63K

이름 더 보기

cb1636AKOS B029823glycoluricacidcarbomoylglycineHydantoicAcid>N-CARBAMYLGLYCINEureidoacetic acidn-carbamoyl-glycinHYDANTOIC ACID 98%

NSC-49417DTXSID7060045CHEBI:133351Acetic acid, [(aminocarbonyl)amino]-RefChem:788598DTXCID4040478207-328-52-Ureidoacetic acid

데이터베이스 식별자

CAS: 462-60-2
PubChem CID: 10020
DTXSID: DTXSID7060045
ChEBI: CHEBI:133351
UNII: Q4F314U63K
EC Number: 207-328-5
Nikkaji: J2.589E

물성

구조 계산 물성

XLogP: -1.4
극성 표면적: 92.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 111

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

SpringerMaterials PropertiesDensity

Vapor Pressure0.000247 [mmHg]

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 179 · 179-180 °C
끓는 점: 220.6 °C · 220.6°C (rough estimate)
밀도: 1.5267 · 1.5267 (rough estimate)
굴절률: 1.4715 · 1.4715 (estimate)
저장 조건: Store at room temperature
산도 계수 (pKa): 1 · pK1: 3.876 (25°C)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 38.85 g/L · 38.85g/L(25℃)
EPA: Glycine, N-(aminocarbonyl)- (462-60-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See N-Glycylglycine.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: MB7660000
독성: mouse,LD50,oral,> 1gm/kg (1000mg/kg),Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(4), Pg. 32, 1990.
HS 번호: 2924.19.8000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36