4-[(Cyclohexylcarbamoyl)amino]butanoic acid

HCID 6420119CAS 511552-46-8

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Grundinformationen

Standard-SMILES: O=C(O)CCCNC(=O)NC1CCCCC1
InChIKey: WSVFRGGLURJIMG-UHFFFAOYSA-N
Summenformel: C11H20N2O3
Durchschnittliche Molmasse: 228,29 g/mol
Monoisotopische Masse: 228,1473925

Namen und Bezeichner

Bevorzugter Name: 4-[(Cyclohexylcarbamoyl)amino]butanoic acid
IUPAC: 4-(cyclohexylcarbamoylamino)butanoic acid

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 78,4 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 16
Formalladung: 0
Komplexität: 237

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.