4-[(Cyclohexylcarbamoyl)amino]butanoic acid

HCID 6420119CAS 511552-46-8

기본 정보

표준 SMILES: O=C(O)CCCNC(=O)NC1CCCCC1
InChIKey: WSVFRGGLURJIMG-UHFFFAOYSA-N
분자식: C11H20N2O3
평균 분자량: 228.29 g/mol
단동위원소 질량: 228.1473925

이름 및 식별자

우선 이름: 4-[(Cyclohexylcarbamoyl)amino]butanoic acid
IUPAC: 4-(cyclohexylcarbamoylamino)butanoic acid

이름 및 동의어

511552-46-84-[(cyclohexylcarbamoyl)amino]butanoic acid4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID4-([(Cyclohexylamino)carbonyl]amino)butanoic acidN2N8NLK6Q84-[[(Cyclohexylamino)carbonyl]amino]butanoic acid4-((cyclohexylcarbamoyl)amino)butanoic acid4-(((CYCLOHEXYLAMINO)CARBONYL)AMINO)BUTANOIC ACIDRefChem:509737107-680-94-(3-cyclohexylureido)butanoic acid4-(cyclohexylcarbamoylamino)butanoic acid

이름 더 보기

MFCD08442345Butanoic acid, 4-[[(cyclohexylamino)carbonyl]amino]-CHEMBL2196954-(3-Cyclohexyl-ureido)-butyric acid1zd34-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACIDSCHEMBL1065092WSVFRGGLURJIMG-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 511552-46-8
PubChem CID: 6420119
ChEMBL: CHEMBL219695
UNII: N2N8NLK6Q8
EC Number: 107-680-9

물성

구조 계산 물성

XLogP: 1
극성 표면적: 78.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 237

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.