N-Cyclohexylbutane-1,4-diamine
Basic information
- CAS
79419-72-0- Standard SMILES
NCCCCNC1CCCCC1- InChIKey
XXCZIZBMFPDINL-UHFFFAOYSA-N- Molecular formula
- C10H22N2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 170.17829871
Names & identifiers
- Preferred name
- N-Cyclohexylbutane-1,4-diamine
- IUPAC
- N'-cyclohexylbutane-1,4-diamine
- English name
- N-cyclohexylbutane-1,4-diamine
- Molecular formula
- C10H22N2
- Molecular weight
- 170.3
Names & synonyms
N-Cyclohexylbutane-1,4-diamine79419-72-01,4-Butanediamine, N1-cyclohexyl-EINECS 279-154-8S6SQ4PR628SCHEMBL4243544SCHEMBL5933400DTXSID10229649N1-Cyclohexyl-1,4-butanediamineXXCZIZBMFPDINL-UHFFFAOYSA-NN~1~-Cyclohexylbutane-1,4-diamineNS00038038
Show more names
N-(4-Aminobutyl)-N-cyclohexylamine
Database identifiers
- CAS
79419-72-0- PubChem CID
- 54364
- DTXSID
DTXSID10229649- UNII
- S6SQ4PR628
- EC Number
- 279-154-8
- Nikkaji
- J164.796B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 98
Physicochemical properties
- Boiling point
- 259.8 · 259.8±8.0 °C(Predicted)
- Density
- 0.9 · 0.90±0.1 g/cm3(Predicted)
- pka
- 11.02 · 11.02±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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