1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, propyl ester, hydrochloride (1:1)

HCID 197863

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Basic information

CAS: 147-63-7
Standard SMILES: CCCOC(=O)c1cncn1C(C)c1ccccc1.Cl
InChIKey: BERTUNFDFYZKFQ-UHFFFAOYSA-N
Molecular formula: C15H19ClN2O2
Average molar mass: 294.77 g/mol
Monoisotopic mass: 294.1135055

Names & identifiers

Preferred name: 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, propyl ester, hydrochloride (1:1)
IUPAC: propyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride

Names & synonyms

Propoxate hydrochloride7036-61-5BQ5GQO02PRNSC-1677251H-IMIDAZOLE-5-CARBOXYLIC ACID, 1-(1-PHENYLETHYL)-, PROPYL ESTER, HYDROCHLORIDE (1:1)RefChem:1058014230-317-1Propoxate HCl1-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid Propyl Ester Hydrochloridepropyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochlorideEINECS 230-317-1UNII-BQ5GQO02PR

Show more names

DL-1-(1-Phenethyl)imidazole-5-carboxylic acid propyl ester hydrochloride1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, propyl ester, hydrochloride, (+-)-Imidazole-5-carboxylic acid, 1-(alpha-methylbenzyl)-, propyl ester, hydrochloride, (+-)-SCHEMBL10695613DTXSID90952185BERTUNFDFYZKFQ-UHFFFAOYSA-NPropyl 1-(1-phenylethyl)imidazole-5-carboxylate hydrochlorideHAA03661

Database identifiers

CAS: 147-63-7、7036-61-5
PubChem CID: 197863
DTXSID: DTXSID90952185
UNII: BQ5GQO02PR
EC Number: 230-317-1

Properties

Computed structural properties

Topological polar surface area: 44.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 290

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