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3-Pyridinebutanal, g-(methylnitrosoamino)-

CAS 64091-90-3C10H13N3O2MW 207.23

3-Pyridinebutanal, g-(methylnitrosoamino)- (CAS 64091-90-3) — formula C10H13N3O2, molecular weight 207.23; category organic chemicals.

Product Overview

CAS Number64091-90-3
Molecular FormulaC10H13N3O2
Molecular Weight207.23
LogP0.4
CategoryOrganic Chemicals

Technical Profile

What this product is

3-Pyridinebutanal, g-(methylnitrosoamino)- is a carbon-based organic compound with CAS registry number 64091-90-3 and molecular formula C10H13N3O2 (molecular weight 207.23), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 64091-90-3

Its molecular formula C10H13N3O2 comprises 10 C, 13 H, 3 N, 2 O atoms.

Also known as: 3-Pyridinebutanal, g-(methylnitrosoamino)- · 3-吡啶丁醛,g-(甲基亚硝基氨基)-

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 3-Pyridinebutanal, g-(methylnitrosoamino)-?

The CAS registry number of 3-Pyridinebutanal, g-(methylnitrosoamino)- is 64091-90-3.

What is the molecular formula and molecular weight of 3-Pyridinebutanal, g-(methylnitrosoamino)-?

Molecular formula C10H13N3O2, molecular weight 207.23.

What other names is 3-Pyridinebutanal, g-(methylnitrosoamino)- known by?

It is also registered under: 3-Pyridinebutanal, g-(methylnitrosoamino)-, 3-吡啶丁醛,g-(甲基亚硝基氨基)-.

Which category does 3-Pyridinebutanal, g-(methylnitrosoamino)- belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 3-Pyridinebutanal, g-(methylnitrosoamino)- (CAS 64091-90-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number64091-90-3
PubChem CID62228
Molecular formulaC10H13N3O2
IUPAC nameN-methyl-N-(4-oxo-1-pyridin-3-ylbutyl)nitrous amide
UNII (FDA)921VK962LT

Computed descriptors

Molecular Weight207.23
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass207.100776666
Monoisotopic Mass207.100776666
Topological Polar Surface Area62.6
Heavy Atom Count15

Documented uses on record

  • 4-(Methylnitrosamino)-4-(3-pyridyl)butanal (NNA) has known thirdhand smoke metabolites that include 4-hydroxy-4-(3-pyridyl)-butanoic acid (HPBA) and 4-Oxo-4-(3-pyridyl)-butanoic acid (OPBA).
  • 4-(methylnitrosamino)-4-(3-pyridyl) butanal (NNA) is a known thirdhand smoke metabolite of Nicotine.

Synonyms and trade names

64091-90-3; 4-(METHYLNITROSAMINO)-4-(3-PYRIDYL)BUTANAL; 3-Pyridinebutanal, gamma-(methylnitrosoamino)-; 921VK962LT; gamma-(Methylnitrosamino)-3-pyridinebutyraldehyde; DTXSID00897139; RefChem:97491; DTXCID001326566; 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal; N-methyl-N-(4-oxo-1-pyridin-3-ylbutyl)nitrous amide; BRN 0396208; UNII-921VK962LT; 4-(N-Nitroso-N-methylamino)-4-(3-pyridyl)butanal; 3-Pyridinebutanal, .gamma.-(methylnitrosoamino)-; 4-(N-Methyl-M-nitrosamino)-4-(3-pyridyl)butanal; 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)-1-butanal

What the public record says

3-Pyridinebutanal, g-(methylnitrosoamino)- · CAS 64091-90-3 · C10H13N3O2. UNII 921VK962LT.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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