Home Aminos 4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone

4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone

CAS No.:
764661-24-7
Catalog Number:
AG005LGQ
Molecular Formula:
C10H9D4N3O2
Molecular Weight:
211.2538
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG005LGQ
Chemical Name:
4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone
CAS Number:
764661-24-7
Molecular Formula:
C10H9D4N3O2
Molecular Weight:
211.2538
MDL Number:
MFCD01861565
IUPAC Name:
N-methyl-N-[4-oxo-4-(2,4,5,6-tetradeuteriopyridin-3-yl)butyl]nitrous amide
InChI:
InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3/i2D,4D,6D,8D
InChI Key:
FLAQQSHRLBFIEZ-MNYIHESISA-N
SMILES:
O=NN(CCCC(=O)c1c([2H])nc(c(c1[2H])[2H])[2H])C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
211.257g/mol
Monoisotopic Mass:
211.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties