Name: Name:4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone
Brand: Angene
SKU: AG008ORO
Rating: 90 (10 reviews)

4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone

CAS No.:

76014-82-9

Catalog Number:

AG008ORO

Molecular Formula:

C10H13N3O3

Molecular Weight:

223.2285

Catalog Number:

AG008ORO

Chemical Name:

4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone

CAS Number:

76014-82-9

Molecular Formula:

C10H13N3O3

Molecular Weight:

223.2285

MDL Number:

MFCD01320423

IUPAC Name:

N-methyl-N-[4-(1-oxidopyridin-1-ium-3-yl)-4-oxobutyl]nitrous amide

InChI:

InChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3

InChI Key:

KRRWRVSPMYAJPF-UHFFFAOYSA-N

SMILES:

O=NN(CCCC(=O)c1ccc[n+](c1)[O-])C

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.232g/mol

Monoisotopic Mass:

223.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2