4-Heptanamine, N-ethyl-N-methyl-4-propyl-, hydrochloride
Basic information
- CAS
64467-51-2- Standard SMILES
CCCC(CCC)(CCC)[NH+](C)CC.[Cl-]- InChIKey
JXSGTXAQYFWMIM-UHFFFAOYSA-N- Molecular formula
- C13H30ClN
- Average molar mass
- 235.84 g/mol
- Monoisotopic mass
- 235.2066777
Names & identifiers
- Preferred name
- 4-Heptanamine, N-ethyl-N-methyl-4-propyl-, hydrochloride
- IUPAC
- ethyl-methyl-(4-propylheptan-4-yl)azanium chloride
Names & synonyms
64467-51-24-HEPTANAMINE, N-ETHYL-N-METHYL-4-PROPYL-, HYDROCHLORIDERefChem:1070699N-Ethyl-N-methyl-4-propyl-4-heptanamine hydrochlorideLCG 21648
Database identifiers
- CAS
64467-51-2- PubChem CID
- 47387
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 114
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Compound notes
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