Molecular Structure of 7-Amino-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one (CAS NO.4928-02-3):
IUPAC: 7-Amino-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Molecular Formula: C15H13N3O
Molecular Weight: 251.28
Product Categories: Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
Density: 1.3 g/cm3
Melting Point: 242-244oC
Flash Point: 253.6oC
Boiling Point: 495.8oC at 760 mmHg
Index of Refraction: 1.683
Surface Tension: 54.3 dyne/cm
Molar Volume: 192 cm3
Enthalpy of Vaporization: 76.34 kJ/mol
Vapour Pressure: 5.73E-10 mmHg at 25oC
SMILES: O=C2Nc1c(cc(N)cc1)\C(=N/C2)c3ccccc3
InChI: InChI=1/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
InChIKey: OYOUQHVDCKOOAL-UHFFFAOYAF
Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx.
7-Amino-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one with cas registry number of 4928-02-3 is also known as 7-Amino-1,3-dihydro-5-phenyl-2h-4-benzodiazepin-2-one ; 7-Amino-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one ; 7-Amino-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one ; Ro5-3072 ; 7-Aminonitrazepam ; 1,3-Dihydro-7-amino-5-phenyl-2H-1,4-benzodiazepin -2-one ; Ro-05-3072 . It is an intermediate with the appearance of pale yellow solid . It can be soluble in water . 7-Amino-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one with cas registry number of 4928-02-3 is used as a metabolite of Nitrazepam .
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