Benzeneethanamine, 4-(pentyloxy)-, hydrochloride (1:1)
Basic information
- CAS
37563-55-6- Standard SMILES
CCCCCOc1ccc(CCN)cc1.Cl- InChIKey
KNQZUEHCCUQXSY-UHFFFAOYSA-N- Molecular formula
- C13H22ClNO
- Average molar mass
- 243.77 g/mol
- Monoisotopic mass
- 243.138992
Names & identifiers
- Preferred name
- Benzeneethanamine, 4-(pentyloxy)-, hydrochloride (1:1)
- IUPAC
- 2-(4-pentoxyphenyl)ethanamine;hydrochloride
Names & synonyms
Benzeneethanamine, 4-(pentyloxy)-, hydrochloride37563-55-6DTXSID80190998RefChem:1078431DTXCID20113489Benzeneethanamine, 4-(pentyloxy)-, hydrochloride (1:1)4-(Pentyloxy)benzeneethanamine hydrochloride2-[4-(Pentyloxy)phenyl]ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
37563-55-6- PubChem CID
- 216646
- DTXSID
DTXSID80190998
Properties
Computed structural properties
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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