Home Other Building Blocks 3-ethyl-1-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

3-ethyl-1-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

CAS No.:
1093060-45-7
Catalog Number:
AG01C5G5
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C5G5
Chemical Name:
3-ethyl-1-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
CAS Number:
1093060-45-7
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD11058146
IUPAC Name:
3-ethyl-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
InChI:
InChI=1S/C12H14N2O2/c1-3-9-12(16)14(2)10-7-5-4-6-8(10)11(15)13-9/h4-7,9H,3H2,1-2H3,(H,13,15)
InChI Key:
LNYBFCDOYVIIEI-UHFFFAOYSA-N
SMILES:
CCC1NC(=O)c2c(N(C1=O)C)cccc2
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties