Please Wait
Applying Filters...
Menu
$ API Ref.Price (USD/KG) : 393Xls
2D Structure
Also known as: 1h-1,2-benzodiazepine, 1,2-benzodiazepine, 12794-10-4, Benzo diazepine, M0q7802g2b, Benzodiazepin
Molecular Formula
C9H8N2
Molecular Weight
144.17  g/mol
InChI Key
SVUOLADPCWQTTE-UHFFFAOYSA-N
FDA UNII
M0Q7802G2B

A group of two-ring heterocyclic compounds consisting of a benzene ring fused to a diazepine ring.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1H-1,2-benzodiazepine
2.1.2 InChI
InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H
2.1.3 InChI Key
SVUOLADPCWQTTE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C=CC=NN2
2.2 Other Identifiers
2.2.1 UNII
M0Q7802G2B
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Benzodiazepine Compounds

2. Benzodiazepines

2.3.2 Depositor-Supplied Synonyms

1. 1h-1,2-benzodiazepine

2. 1,2-benzodiazepine

3. 12794-10-4

4. Benzo Diazepine

5. M0q7802g2b

6. Benzodiazepin

7. 264-60-8

8. Benzodiazapine

9. Unii-m0q7802g2b

10. Schembl8137

11. Chembl4297264

12. Dtxsid90155730

13. Db12537

14. Q27283309

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 144.17 g/mol
Molecular Formula C9H8N2
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass144.068748264 g/mol
Monoisotopic Mass144.068748264 g/mol
Topological Polar Surface Area24.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1