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CAS Number: 28910-89-6
3H-benzo[e][1,4]diazepine acetate

Structure

 3H-benzo[e][1,4]diazepine acetate
Name: 3H-benzo[e][1,4]diazepine acetate
Synonyms:
General Information
Product Number: 28910896

CAS Registry Number 28910-89-6
Name:
Acetic acid, 2-?(7-?chloro-?5-?phenyl-?3H-?1,?4-?benzodiazepin-?2-?yl)?hydrazide
3H-1,4-Benzodiazepine, acetic acid deriv.
2-(2-Acetylhydrazino)-7-chloro-5-phenyl-3H-1,4-benzodiazepine

 

Chemical Formula: C11H12N2O2
Exact Mass: 204.09
Molecular Weight: 204.23
m/z: 204.09 (100.0%), 205.09 (12.7%)

 

InChI:InChI=1S/C17H15ClN4O/c1-11(23)21-22-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)20-16/h2-9H,10H2,1H3,(H,20,22)(H,21,23)

InChI Key:RIYMFZCORTVORQ-UHFFFAOYSA-N

Canonical SMILES:CC(=O)NNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3

 

Thermal Properties Value Condition Note
Melting Point 209-210 °C Solv: methanol (67-56-1) (2)IC

Specification

98%
References
  1. (2) Hester, Jackson B., Jr.; Journal of Organic Chemistry 1979, V44(15), P2688-93 CAPLUS
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