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4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone structure

CAS No:
64091-91-4
Formula:
C10H13N3O2
Chemical Name:
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
Synonyms:
1-Butanone,4-(methylnitrosoamino)-1-(3-pyridinyl)-;4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone;4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone;NNK;4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone;4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanone;NNK (carcinogen);4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;4-(Methylintrosamino)-1-(3-pyridyl)-1-butanone;4-(Methylnitrosamine)-1-(3-pyridyl)-1-butanone;96552-68-0;121268-99-3;64173-37-1;64142-44-5;87876-94-6
Categories:
Analytical Chemistry > Standard

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Description

Off-White Crystals

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone Basic Attributes

Molecular Weight：

207.23

Exact Mass：

207.23

BRN：

3548355

HScode：

38220090

Characteristics

PSA：

62.6

XLogP3：

0.00 (est)

Density：

less than 1 (NTP, 1992)

Melting Point：

71-73 °C

Boiling Point：

423.9±25.0 °C at 760 mmHg

Flash Point：

9℃

Refractive Index：

1.557

Water Solubility：

In water, 1.03X10+5 mg/L at 25 deg C (est)

Storage Conditions：

Amber Vial, -20°C Freezer

Vapor Pressure：

6.8X10-5 mm Hg at 25 deg C (est)

Toxicity：

LD50 intraperitoneal in mouse: 1gm/kg

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

26/27/28-45-43-40-22-39/23/24/25-23/24/25-11

safety instructions：

45-53-36/37-16

RTECS Number：

OB6465000

Marks：

Xn,T,F

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P280-P301 + P310

Hazard Statements：

H301-H317-H351

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone Use and Manufacturing

This compound was present in the highest concentrations in smokeless tobacco out ofthe nitrosamines identified. It is likely to be important in the etiology of cancers of the lung, oral cavity, and pancreas in people who use tabacco products. Readily produces cancer in rats and hamsters. Carcinogen.

Computed Properties

Molecular Weight:207.23
XLogP3:0.8
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:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE

CAS No.: 64091-91-4

Content: 99.00%

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Guide of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone

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