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

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

CAS No.:
54028-76-1
Catalog Number:
AG00D9GN
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$107
- +
1g
1 week
United States
$232
- +
Product Description
Catalog Number:
AG00D9GN
Chemical Name:
3-Methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
CAS Number:
54028-76-1
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD00168266
IUPAC Name:
3-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
InChI:
InChI=1S/C10H12N2O/c1-7-6-11-8-4-2-3-5-9(8)12-10(7)13/h2-5,7,11H,6H2,1H3,(H,12,13)
InChI Key:
NSAVOLZYPAFSLW-UHFFFAOYSA-N
SMILES:
CC1CNc2c(NC1=O)cccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis and immunotropic properties of 5-substituted 1,5-benzodiazepin-2-ones derivatives in cultures of human peripheral blood cells, Part III. Archiv der Pharmazie 20010101
Properties