Basic information
- CAS
61822-39-7- Standard SMILES
CCC#CC([NH3+])(CC)CC.[Cl-]- InChIKey
MDIWUHDGSWRNJI-UHFFFAOYSA-N- Molecular formula
- C9H18ClN
- Average molar mass
- 175.7 g/mol
- Monoisotopic mass
- 175.1127773
Names & identifiers
- Preferred name
- 4-Heptyn-3-amine, 3-ethyl-, hydrochloride
- IUPAC
- 3-ethylhept-4-yn-3-ylazanium chloride
Names & synonyms
61822-39-74-HEPTYN-3-AMINE, 3-ETHYL-, HYDROCHLORIDERefChem:10707083-Ethyl-4-heptyn-3-amine hydrochlorideLCG 21638
Database identifiers
- CAS
61822-39-7- PubChem CID
- 43797
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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