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Home > Encyclopedia > N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide

N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide

N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide structure

N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide 

structure
  • CAS No:

    59578-66-4

  • Formula:

    C10H15N3O2

  • Chemical Name:

    N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide

  • Synonyms:

    Iso-NNAL;

N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide Basic Attributes

209.24500

209.116426730 g/mol

Characteristics

65.79000

1.50840

1.16g/cm3

428.9ºC

213.2ºC

1.557

Refrigerator

Drug Information

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)

Iso-NNAL is a known thirdhand smoke metabolite of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone (NNK).

4-(methylnitrosoamino)-4-(3-pyridyl)-1-butanol

Computed Properties

Molecular Weight:209.24
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:209.116426730
Monoisotopic Mass:209.116426730
Topological Polar Surface Area:65.8
Heavy Atom Count:15
Complexity:190
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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