3-(Cyclohexylamino)propan-1-ol
Basic information
- CAS
31121-12-7- Standard SMILES
OCCCNC1CCCCC1- InChIKey
DFOAUWHTDKZVPW-UHFFFAOYSA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
- Monoisotopic mass
- 157.14666423
Names & identifiers
- Preferred name
- 3-(Cyclohexylamino)propan-1-ol
- IUPAC
- 3-(cyclohexylamino)propan-1-ol
- English name
- 3-(cyclohexylamino)propan-1-ol
- Molecular formula
- C9H19NO
- Molecular weight
- 157.25
Names & synonyms
3-(cyclohexylamino)propan-1-ol31121-12-7N-CYCLOHEXYLPROPANOLAMINE3-(cyclohexylamino)-1-propanolNSC44899SCHEMBL1548264SCHEMBL1795274DTXSID40185062NSC 44899NSC-44899AKOS009004886CS-0355365
Show more names
1-Propanol, 3-(cyclohexylamino)-
EN300-169059
Database identifiers
- CAS
31121-12-7- PubChem CID
- 35737
- DTXSID
DTXSID40185062- Nikkaji
- J1.615.928J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 89.6
Physicochemical properties
- Melting point
- 71 · 71-72 °C
- Boiling point
- 59 · 59-61 °C(Press: 15 Torr)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- pka
- 15.04 · 15.04±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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