Basic information
- CAS
63690-13-1- Standard SMILES
CNC(C)CCC(C)C- InChIKey
VFQPKDNSCZTUMI-UHFFFAOYSA-N- Molecular formula
- C8H19N
- Average molar mass
- 129.24 g/mol
- Monoisotopic mass
- 129.15174961
Names & identifiers
- Preferred name
- 2-Hexylamine, N,5-dimethyl-
- IUPAC
- N,5-dimethylhexan-2-amine
- English name
- N,5-Dimethyl-2-hexanamine
- Molecular formula
- C8H19N
- Molecular weight
- 129.24
Names & synonyms
63690-13-12-HEXYLAMINE, N,5-DIMETHYL-RefChem:1063300METHYL(5-METHYLHEXAN-2-YL)AMINE5-Methyl-2-hexyl-methylamine2-Hexanamine, N,5-dimethyl-BRN 1733022N,5-dimethylhexan-2-amineN,5-Dimethyl-2-hexanamineSCHEMBL12580592SCHEMBL28162834DTXSID40979988
Show more names
AKOS000156249AKOS017282202DB-308758EN300-7215968
Database identifiers
- CAS
63690-13-1- PubChem CID
- 44596
- DTXSID
DTXSID40979988- Nikkaji
- J77.682C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 59.6
Physicochemical properties
- Boiling point
- 130 · 130-133 °C
- Density
- 0.759 · 0.759±0.06 g/cm3(Predicted)
- pka
- 10.82 · 10.82±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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