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Basic information
- CAS
511552-46-8- Standard SMILES
O=C(O)CCCNC(=O)NC1CCCCC1- InChIKey
WSVFRGGLURJIMG-UHFFFAOYSA-N- Molecular formula
- C11H20N2O3
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.1473925
Names & identifiers
- Preferred name
- 4-[(Cyclohexylcarbamoyl)amino]butanoic acid
- IUPAC
- 4-(cyclohexylcarbamoylamino)butanoic acid
Names & synonyms
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
Show more names
MFCD08442345Butanoic acid, 4-[[(cyclohexylamino)carbonyl]amino]-CHEMBL2196954-(3-Cyclohexyl-ureido)-butyric acid1zd34-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACIDSCHEMBL1065092WSVFRGGLURJIMG-UHFFFAOYSA-N
Database identifiers
- CAS
511552-46-8- PubChem CID
- 6420119
- ChEMBL
CHEMBL219695- UNII
- N2N8NLK6Q8
- EC Number
- 107-680-9
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
7 records
Compound notes
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