Home Other Building Blocks 1,2,4,5-Tetrahydro-benzo[e][1,4]diazepin-3-one

1,2,4,5-Tetrahydro-benzo[e][1,4]diazepin-3-one

CAS No.:
168080-43-1
Catalog Number:
AG001XSG
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$109
- +
5g
97%
In Stock USA
United States
$434
- +
10g
97%
In Stock USA
United States
$782
- +
25g
97%
In Stock USA
United States
$1518
- +
Product Description
Catalog Number:
AG001XSG
Chemical Name:
1,2,4,5-Tetrahydro-benzo[e][1,4]diazepin-3-one
CAS Number:
168080-43-1
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD07784140
IUPAC Name:
1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one
InChI:
InChI=1S/C9H10N2O/c12-9-6-10-8-4-2-1-3-7(8)5-11-9/h1-4,10H,5-6H2,(H,11,12)
InChI Key:
YDCUQJVYYWANPZ-UHFFFAOYSA-N
SMILES:
O=C1CNc2c(CN1)cccc2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties