1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride

HCID 12427

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Basic information

CAS: 631-38-9
Standard SMILES: CCC(CN(C)C)(C[NH+](C)C)OC(=O)c1ccccc1.[Cl-]
InChIKey: FHHDPMSYDYZLAP-UHFFFAOYSA-N
Molecular formula: C16H27ClN2O2
Average molar mass: 314.8 g/mol
Monoisotopic mass: 314.1761058

Overview

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Names & identifiers

Preferred name: 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride
IUPAC: [2-benzoyloxy-2-[(dimethylamino)methyl]butyl]-dimethylazanium chloride

Names & synonyms

1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochlorideAmydricaine HClEINECS 211-156-6AI3-51837Benzoyltetramethyldiaminopentanol hydrochlorideUNII-06F0ZZ018S2-Benzoxyl-2-((dimethylamino)methyl)-1-(dimethylamino)butane[2-benzoyloxy-2-[(dimethylamino)methyl]butyl]-dimethylazanium;chloride

Database identifiers

CAS: 631-38-9
PubChem CID: 12427

Properties

Computed structural properties

Topological polar surface area: 34 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 299

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