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4-(Methylnitrosamino)-4-(3-pyridyl)butanal

4-(Methylnitrosamino)-4-(3-pyridyl)butanal structure

CAS No:
64091-90-3
Formula:
C10H13N3O2
Chemical Name:
4-(Methylnitrosamino)-4-(3-pyridyl)butanal
Synonyms:
3-Pyridinebutanal,γ-(methylnitrosoamino)-;γ-(Methylnitrosoamino)-3-pyridinebutanal;4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal;4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)-1-butanal;4-(Methylnitrosamino)-4-(3-pyridyl)butanal;1-(N-Methyl-N-nitrosamino)-1-(3-pyridinyl)-4-butanal

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4-(Methylnitrosamino)-4-(3-pyridyl)butanal Basic Attributes

Molecular Weight：

207.23 g/mol

Exact Mass：

207.23

Characteristics

PSA：

62.6 Å²

Drug Information

Metabolism/Metabolites：

4-(Methylnitrosamino)-4-(3-pyridyl)butanal (NNA) has known thirdhand smoke metabolites that include 4-Oxo-4-(3-pyridyl)-butanoic acid (OPBA) and 4-hydroxy-4-(3-pyridyl)-butanoic acid (HPBA).

MeSH Entry Terms：

4-(methylnitrosamino)-4-(3-pyridyl)butanal

Computed Properties

Molecular Weight:207.23
XLogP3:0.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:207.100776666
Monoisotopic Mass:207.100776666
Topological Polar Surface Area:62.6
Heavy Atom Count:15
Complexity:211
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: chlorate formula; formula for hydrogen sulphide; phosphorus trichloride; 9000/30; potassium sulfide formula; carbonyl sulfide

Guide of 4-(Methylnitrosamino)-4-(3-pyridyl)butanal

Basic Attributes
Characteristics
Drug Information
Computed Properties

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