Basic information
- CAS
92162-22-6- Standard SMILES
CCCCCC(C)NC1CCCCC1- InChIKey
LAOITWQWJJDLQA-UHFFFAOYSA-N- Molecular formula
- C13H27N
- Average molar mass
- 197.36 g/mol
- Monoisotopic mass
- 197.21434987
Names & identifiers
- Preferred name
- N-(Heptan-2-yl)cyclohexanamine
- IUPAC
- N-heptan-2-ylcyclohexanamine
- English name
- N-Cyclohexyl-2-aminoheptane
- Molecular formula
- C13H27N
- Molecular weight
- 197.36
Names & synonyms
N-(Heptan-2-yl)cyclohexanamine92162-22-6132666-32-1N-CYCLOHEXYL-2-AMINOHEPTANEN-heptan-2-ylcyclohexanamineSCHEMBL11057091DTXSID60563540cyclohexyl-(1-methyl-hexyl)-amineAKOS009006154CS-0277566EN300-169301Cyclohexanamine, N-(1-methylhexyl)-
Database identifiers
- CAS
92162-22-6- PubChem CID
- 14744530
- DTXSID
DTXSID60563540
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 254.7 · 254.7±8.0 °C(Predicted)
- Density
- 0.84 · 0.84±0.1 g/cm3(Predicted)
- pka
- 11.41 · 11.41±0.20(Predicted)
Chemistry & industry
Suppliers1 total
WATERSTONE[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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