Benzeneethanamine, 4-(heptyloxy)-, hydrochloride
Basic information
- CAS
37563-57-8- Standard SMILES
CCCCCCCOc1ccc(CCN)cc1.Cl- InChIKey
OTIOXDBWFAVWBU-UHFFFAOYSA-N- Molecular formula
- C15H26ClNO
- Average molar mass
- 271.82 g/mol
- Monoisotopic mass
- 271.1702921
Names & identifiers
- Preferred name
- Benzeneethanamine, 4-(heptyloxy)-, hydrochloride
- IUPAC
- 2-(4-heptoxyphenyl)ethanamine;hydrochloride
Names & synonyms
Benzeneethanamine, 4-(heptyloxy)-, hydrochloride4-(Heptyloxy)benzeneethanamine hydrochloride37563-57-8DTXSID20191000RefChem:324604DTXCID901134912-[4-(Heptyloxy)phenyl]ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
37563-57-8- PubChem CID
- 216650
- DTXSID
DTXSID20191000
Properties
Computed structural properties
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 164
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Compound notes
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