Basic information
- CAS
16751-58-9- Standard SMILES
CCCC(N)CC- InChIKey
HQLZFBUAULNEGP-UHFFFAOYSA-N- Molecular formula
- C6H15N
- Average molar mass
- 101.19 g/mol
- Monoisotopic mass
- 101.12044948
Names & identifiers
- Preferred name
- Hexan-3-amine
- IUPAC
- hexan-3-amine
- English name
- 3-AMINOHEXANE
- Molecular formula
- C6H15N
- Molecular weight
- 101.19
Names & synonyms
hexan-3-amine16751-58-9DTXSID80937340RefChem:1086560DTXCID6013659083-Hexanamine3-Aminohexane(1-ethylbutyl)amineButylamine, 1-ethyl-3-Hexylamine1-Ethylbutylamine1-ethyl-butylamine
Show more names
Hexane-3-amineRARECHEM AN KB 02381-Ethylbutane-1-amine(1-ethylbutyl)amine 1HCl
n-propyl-1-propanaminSCHEMBL36958SCHEMBL103340SCHEMBL596147SCHEMBL1932434SCHEMBL5610365SCHEMBL9227193SCHEMBL9316125
Database identifiers
- CAS
16751-58-9- PubChem CID
- 86062
- DTXSID
DTXSID80937340- Nikkaji
- J99.878H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35
Physicochemical properties
- Melting point
- -40.7 °C · -40.7°C (estimate)
- Boiling point
- 119.64 °C · 119.64°C (estimate)
- Density
- 0.77 · 0.7700
- refractive index
- 1.42 · 1.4200
- pka
- 11 · 11.00±0.35(Predicted)
- Henry's Law Constant
- 1.8 · 1.8×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
Chemistry & industry
Suppliers2 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
19 records
Compound notes
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