Cas no 55379-61-8 (3H-1,2-Benzodiazepine)
3H-1,2-Benzodiazepine structure
Product Name:3H-1,2-Benzodiazepine
CAS No:55379-61-8
MF:C9H8N2
MW:144.173221588135
CID:352055
PubChem ID:12281060
Update Time:2025-04-19
3H-1,2-Benzodiazepine Chemical and Physical Properties
Names and Identifiers
-
- 3H-1,2-Benzodiazepine
- DTXSID10484014
- SCHEMBL9728983
- [3h]benzodiazepine
- 55379-61-8
-
- Inchi： 1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-6H,7H2
- InChI Key： GMSQLQURORXIQR-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2C=CCN=1
Computed Properties
- Exact Mass: 144.06884
- Monoisotopic Mass: 144.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 24.7?2
Experimental Properties
- PSA: 24.72
3H-1,2-Benzodiazepine Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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