Home Other Building Blocks 1,3,4,5-Tetrahydro-2h-1,5-benzodiazepin-2-one

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

CAS No.:
5755-07-7
Catalog Number:
AG003DFT
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$273
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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
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
Properties