Basic information
- CAS
63765-90-2- Standard SMILES
CCCCC(CC)CNCC(C)(C)[N+](=O)[O-]- InChIKey
ZWNSDNRWTPIDSH-UHFFFAOYSA-N- Molecular formula
- C12H26N2O2
- Average molar mass
- 230.35 g/mol
- Monoisotopic mass
- 230.19942808
Names & identifiers
- Preferred name
- Hexylamine, 2-ethyl-N-(2-methyl-2-nitro)propyl-
- IUPAC
- 2-ethyl-N-(2-methyl-2-nitropropyl)hexan-1-amine
- English name
- N-(2-Methyl-2-nitropropyl)-2-ethylhexylamine
- Molecular formula
- C12H26N2O2
- Molecular weight
- 230.35
Names & synonyms
63765-90-2HEXYLAMINE, 2-ETHYL-N-(2-METHYL-2-NITRO)PROPYL-RefChem:1086675N-(2-Nitroisobutyl)-2-ethylhexylamineBRN 1781161Hexylamine,N-(2-nitro)isobutyl-2-ethyl2-ethyl-N-(2-methyl-2-nitropropyl)hexan-1-amineN-(2-Methyl-2-nitropropyl)-2-ethylhexylamineDTXSID50980308DB-3085181-Hexanamine, 2-ethyl-N-(2-methyl-2-nitropropyl)-
Database identifiers
- CAS
63765-90-2- PubChem CID
- 44689
- DTXSID
DTXSID50980308- Nikkaji
- J77.684J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 100 · 100-101 °C(Press: 1 Torr)
- Density
- 0.9281 g/cm3 · 0.9281 g/cm3
- pka
- 7.92 · 7.92±0.38(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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