2-(2-Methylazepan-1-yl)ethyl 4-aminobenzoate
Basic information
- CAS
7468-17-9- Standard SMILES
CC1CCCCCN1CCOC(=O)c1ccc(N)cc1.Cl- InChIKey
UZASWMWTXJYYGA-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O2
- Average molar mass
- 312.83 g/mol
- Monoisotopic mass
- 312.1604557
Names & identifiers
- Preferred name
- 2-(2-Methylazepan-1-yl)ethyl 4-aminobenzoate
- IUPAC
- 2-(2-methylazepan-1-yl)ethyl 4-aminobenzoate;hydrochloride
Names & synonyms
7468-17-9DTXSID40639459NSC400744NSC-400744DS-0032872-(2-methylazepan-1-yl)ethyl 4-aminobenzoate2-(2-Methylazepan-1-yl)ethyl 4-aminobenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
7468-17-9- PubChem CID
- 24200722
- DTXSID
DTXSID40639459
Properties
Computed structural properties
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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