Basic information
- CAS
56667-17-5- Standard SMILES
CCCC(N)(CC)CC- InChIKey
IZEJQGRHGSWGDZ-UHFFFAOYSA-N- Molecular formula
- C8H19N
- Average molar mass
- 129.24 g/mol
- Monoisotopic mass
- 129.15174961
Names & identifiers
- Preferred name
- 3-Hexanamine, 3-ethyl-
- IUPAC
- 3-ethylhexan-3-amine
- English name
- 3-Ethyl-3-hexanamine
- Molecular formula
- C8H19N
- Molecular weight
- 129.24
Names & synonyms
3-Hexanamine, 3-ethyl-56667-17-5DTXSID201016252RefChem:279650DTXCID701458946IZEJQGRHGSWGDZ-UHFFFAOYSA-N3-ethylhexan-3-amine3-Ethyl-3-hexanamine1,1-Diethylbutylamine #SCHEMBL193494SCHEMBL1678942SCHEMBL2472454
Show more names
DB-315399
Database identifiers
- CAS
56667-17-5- PubChem CID
- 41707
- DTXSID
DTXSID201016252- Nikkaji
- J108.734G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Physicochemical properties
- Boiling point
- 159 · 159.0±8.0 °C(Predicted)
- Density
- 0.786 · 0.786±0.06 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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