CAS
13472-35-0 Purity
99%+
13472-35-0 Purity
99%+
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4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
CAS
64091-91-4
Catalog Number
ACM64091914
Category
Main Products
Molecular Weight
207.23
Molecular Formula
C10H13N3O2
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Specification
Synonyms
4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone, NNK
Melting Point
64-67 °C
Appearance
White to off-white solid
What is the molecular formula of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone?
The molecular formula is C10H13N3O2.
What is the molecular weight of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone?
The molecular weight is 207.23 g/mol.
What are the synonyms for 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone?
The synonyms include 64091-91-4, 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, NNK, and NNK (carcinogen).
Is 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone a natural product?
Yes, it is a natural product found in Nicotiana tabacum.
What is the IUPAC name of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone?
The IUPAC name is N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide.
What is the InChI of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone?
The InChI is 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.
What is the InChIKey of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone?
The InChIKey is FLAQQSHRLBFIEZ-UHFFFAOYSA-N.
What is the CAS number of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone?
The CAS number is 64091-91-4.
Is 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone listed in the NCI Thesaurus?
Yes, it is listed with the NCI Thesaurus code C29801.
What is the chemical and physical property of 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone?
The computed properties include a molecular weight of 207.23 g/mol, XLogP3-AA value of 0.8, and zero hydrogen bond donor count.
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