N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide
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N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide
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CAS No:
59578-66-4
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Formula:
C10H15N3O2
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Chemical Name:
N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide
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Synonyms:
Iso-NNAL;
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CAS No:
N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide Basic Attributes
209.24500
209.116426730 g/mol
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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