4-Heptanamine, 4-propyl-N-2-propynyl-, hydrochloride
Basic information
- CAS
64467-48-7- Standard SMILES
C#CCNC(CCC)(CCC)CCC.Cl- InChIKey
LLMCTRDPUVISRI-UHFFFAOYSA-N- Molecular formula
- C13H26ClN
- Average molar mass
- 231.8 g/mol
- Monoisotopic mass
- 231.1753775
Names & identifiers
- Preferred name
- 4-Heptanamine, 4-propyl-N-2-propynyl-, hydrochloride
- IUPAC
- 4-propyl-N-prop-2-ynylheptan-4-amine;hydrochloride
Names & synonyms
LCG 216254-Heptanamine, 4-propyl-N-2-propynyl-, hydrochloride4-Propyl-N-2-propynyl-4-heptanamine hydrochloride64467-48-7DTXSID60214727RefChem:292983DTXCID90137218SCHEMBL114301964-Propyl-N-(prop-2-yn-1-yl)heptan-4-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
64467-48-7- PubChem CID
- 3049079
- DTXSID
DTXSID60214727
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
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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