2-Heptanamine, 6-methyl-N-(3-methylbutyl)-, hydrochloride (1:1)
Basic information
- CAS
5964-56-7- Standard SMILES
CC(C)CCCC(C)NCCC(C)C.Cl- InChIKey
LOUVMIYRBQFBQN-UHFFFAOYSA-N- Molecular formula
- C13H30ClN
- Average molar mass
- 235.84 g/mol
- Monoisotopic mass
- 235.2066777
Names & identifiers
- Preferred name
- 2-Heptanamine, 6-methyl-N-(3-methylbutyl)-, hydrochloride (1:1)
- IUPAC
- 6-methyl-N-(3-methylbutyl)heptan-2-amine;hydrochloride
- English name
- isopentyl(1,5-dimethylhexyl)ammonium chloride
- Molecular formula
- C13H30ClN
- Molecular weight
- 235.837
Names & synonyms
Octamylamine hydrochloride5964-56-769H8F4TGMI2-HEPTANAMINE, 6-METHYL-N-(3-METHYLBUTYL)-, HYDROCHLORIDE (1:1)RefChem:1063263227-745-6Isopentyl(1,5-dimethylhexyl)ammonium chlorideUNII-69H8F4TGMIEINECS 227-745-6Hexylamine, N-isopentyl-1,5-dimethyl-, hydrochlorideorb17404412-Heptanamine, 6-methyl-N-(3-methylbutyl)-, hydrochloride
Show more names
DTXSID30975035LOUVMIYRBQFBQN-UHFFFAOYSA-NOCTAMYLAMINE HYDROCHLORIDE [MART.]T69039Q27264350N-ISOPENTYL-1,5-DIMETHYLHEXYLAMINE HYDROCHLORIDE6-Methyl-N-(3-methylbutyl)heptan-2-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
5964-56-7- PubChem CID
- 110741
- DTXSID
DTXSID30975035- UNII
- 69H8F4TGMI
- EC Number
- 227-745-6
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- FDA UNII
- 69 H8F4TGMI · 69H8F4TGMI
Chemistry & industry
Applications
UsesOctamylamine hydrochloride is an anticholinergic and antispasmodic agent[1].
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Compound notes
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