Basic information
- CAS
13724-19-1- Standard SMILES
CCCCCCCCOc1ccc(N)cc1C(C)=O.Cl- InChIKey
YFPJSQUPJGICQN-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO2
- Average molar mass
- 299.83 g/mol
- Monoisotopic mass
- 299.1652068
Overview
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Names & identifiers
- Preferred name
- 1-(5-Amino-2-(octyloxy)phenyl)ethan-1-one hydrochloride
- IUPAC
- 1-(5-amino-2-octoxyphenyl)ethanone;hydrochloride
Names & synonyms
1-(5-Amino-2-(octyloxy)phenyl)ethan-1-one hydrochloridestarbld0034825orb1986630DTXSID30929750AKOS040750086T295871-[5-Amino-2-(octyloxy)phenyl]ethan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
13724-19-1- PubChem CID
- 92035596
- DTXSID
DTXSID30929750
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
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Compound notes
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