Basic information
- CAS
16179-64-9- Standard SMILES
O=C1C=C(NC2CCCCC2)CCC1- InChIKey
KGZBNYVREQFDFO-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
- Monoisotopic mass
- 193.14666423
Names & identifiers
- Preferred name
- 3-(Cyclohexylamino)cyclohex-2-en-1-one
- IUPAC
- 3-(cyclohexylamino)cyclohex-2-en-1-one
- English name
- 3-(Cyclohexylamino)-2-cyclohexen-1-one
- Molecular formula
- C12H19NO
- Molecular weight
- 193.29
Names & synonyms
3-(cyclohexylamino)cyclohex-2-en-1-one16179-64-9DTXSID10312904RefChem:275333DTXCID402640283-(Cyclohexylamino)-2-cyclohexen-1-oneNSC264028MLS001240964CHEMBL1872725HMS2205F13HMS3337L13AKOS024324987
Show more names
2-Cyclohexen-1-one, 3-(cyclohexylamino)-
NSC-264028SMR000841315AE-018/31865003
Database identifiers
- CAS
16179-64-9- PubChem CID
- 319576
- DTXSID
DTXSID10312904- ChEMBL
CHEMBL1872725- Nikkaji
- J904.547C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 147 · 147-148 °C
- Boiling point
- 327.1 · 327.1±32.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 5.35 · 5.35±0.20(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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