Carbamic acid, methyl-, 4-(3-dimethylaminopropyl)phenyl ester, hydrochloride

HCID 46112

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Basic information

CAS: 63982-44-5
Standard SMILES: CNC(=O)Oc1ccc(CCC[NH+](C)C)cc1.[Cl-]
InChIKey: LHBWEWHQFILKOK-UHFFFAOYSA-N
Molecular formula: C13H21ClN2O2
Average molar mass: 272.77 g/mol
Monoisotopic mass: 272.1291556

Names & identifiers

Preferred name: Carbamic acid, methyl-, 4-(3-dimethylaminopropyl)phenyl ester, hydrochloride
IUPAC: dimethyl-[3-[4-(methylcarbamoyloxy)phenyl]propyl]azanium chloride

Names & synonyms

CARBAMIC ACID, METHYL-, 4-(3-DIMETHYLAMINOPROPYL)PHENYL ESTER, HYDROCHLORIDET-193563982-44-5Carbamic acid, N-methyl-, 4-(gamma-dimethylaminopropyl)phenyl ester, hydrochlorideRefChem:332549

Database identifiers

CAS: 63982-44-5
PubChem CID: 46112

Properties

Computed structural properties

Topological polar surface area: 42.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 223

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