Basic information
- CAS
1132-42-9- Standard SMILES
CC(=O)CC(=O)NC1CCCCC1- InChIKey
FLCPERRDPXWFDK-UHFFFAOYSA-N- Molecular formula
- C10H17NO2
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.12592879
Names & identifiers
- Preferred name
- N-Cyclohexylacetoacetamide
- IUPAC
- N-cyclohexyl-3-oxobutanamide
- English name
- N-cyclohexylacetoacetamide
- Molecular formula
- C10H17NO2
- Molecular weight
- 183.25
Names & synonyms
N-Cyclohexylacetoacetamiden-cyclohexyl-3-oxobutanamide1132-42-9Butanamide, N-cyclohexyl-3-oxo-V4R6MJY84BEINECS 214-475-9NSC-60220DTXSID60150318NSC 60220RefChem:163155DTXCID0072809214-475-9
Show more names
N-Cyclohexyl-3-oxobutyramide
Butanamide,N-cyclohexyl-3-oxo-acetoacetic cyclohexylamideNSC60220UNII-V4R6MJY84BN-cyclohexyl-acetylacetamideN-cyclohexyl-3-oxo-butanamideSCHEMBL2413616AKOS000165977
Database identifiers
- CAS
1132-42-9- PubChem CID
- 70805
- DTXSID
DTXSID60150318- UNII
- V4R6MJY84B
- EC Number
- 214-475-9
- Nikkaji
- J203.379H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- FDA UNII
- 4 R6MJY84B · V4R6MJY84B
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
5 records
Compound notes
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