Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride

HCID 3045702

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Basic information

CAS: 61035-90-3
Standard SMILES: CCCCCC(=O)Oc1ccc(CCN)cc1.Cl
InChIKey: XOZNNMYRGYCPGQ-UHFFFAOYSA-N
Molecular formula: C14H22ClNO2
Average molar mass: 271.78 g/mol
Monoisotopic mass: 271.1339066

Names & identifiers

Preferred name: Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride
IUPAC: [4-(2-aminoethyl)phenyl] hexanoate;hydrochloride

Names & synonyms

Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride61035-90-3DTXSID00209915RefChem:347695DTXCID501324064-(2-Aminoethyl)phenyl hexanoate--hydrogen chloride (1/1)

Database identifiers

CAS: 61035-90-3
PubChem CID: 3045702
DTXSID: DTXSID00209915

Properties

Computed structural properties

Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 210

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