CAS 5755-07-7 | 1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one | CAS Number 5755-07-7

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 5755-07-7

5755-07-7 | 1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one

CAS No: 5755-07-7 Catalog No: AG003DFT MDL No:MFCD00612448

Product Description

Catalog Number:

AG003DFT

Chemical Name:

1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one

CAS Number:

5755-07-7

Molecular Formula:

C9H10N2O

Molecular Weight:

162.1885

MDL Number:

MFCD00612448

IUPAC Name:

1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

InChI:

InChI=1S/C9H10N2O/c12-9-5-6-10-7-3-1-2-4-8(7)11-9/h1-4,10H,5-6H2,(H,11,12)

InChI Key:

XTDMZEZDXXJVMK-UHFFFAOYSA-N

SMILES:

O=C1CCNc2c(N1)cccc2

NSC Number:

11707

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

162.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

162.192g/mol

Monoisotopic Mass:

162.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Z-360, a novel therapeutic agent for pancreatic cancer, prevents up-regulation of ephrin B1 gene expression and phosphorylation of NR2B via suppression of interleukin-1 β production in a cancer-induced pain model in mice.	Molecular pain 20100101