4-[(Cyclohexylcarbamoyl)amino]butanoic acid

HCID 6420119CAS 511552-46-8

基本情報

標準SMILES: O=C(O)CCCNC(=O)NC1CCCCC1
InChIKey: WSVFRGGLURJIMG-UHFFFAOYSA-N
分子式: C11H20N2O3
平均分子量: 228.29 g/mol
単同位体質量: 228.1473925

名称と識別子

優先名称: 4-[(Cyclohexylcarbamoyl)amino]butanoic acid
IUPAC: 4-(cyclohexylcarbamoylamino)butanoic acid

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1
極性表面積: 78.4 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 16
形式電荷: 0
複雑度: 237

安全と法規制

GHS分類

GHS Classification · 5 件

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.