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2-(4-Nitrophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
[CAS# 904813-76-9]

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Identification
Name 2-(4-Nitrophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Synonyms 2-(4-Nitro-phenyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine
Molecular Structure CAS#: 904813-76-9, 2-(4-Nitrophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Molecular Formula C15H15N3O2
Molecular Weight 269.30
CAS Registry Number 904813-76-9
SMILES [O-][N+](=O)c1ccc(cc1)C3Nc2ccccc2NCC3
InChI 1S/C15H15N3O2/c19-18(20)12-7-5-11(6-8-12)13-9-10-16-14-3-1-2-4-15(14)17-13/h1-8,13,16-17H,9-10H2
InChIKey BCMPGVGSPVNQHE-UHFFFAOYSA-N
Properties
Density 1.213g/cm3 (Cal.)
Boiling point 485.878°C at 760 mmHg (Cal.)
Flash point 247.651°C (Cal.)
Refractive index 1.601 (Cal.)
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