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53609-64-6

53609-64-6 structural image
Product Name: DIISOPROPANOLNITROSAMINE
Formula: C6H14N2O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow viscous liquid; [OSHA]
Chemical Classes Nitrogen Compounds -> Nitrosamines

COMPUTED DESCRIPTORS

Molecular Weight 162.19 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 162.10044231 g/mol
Monoisotopic Mass 162.10044231 g/mol
Topological Polar Surface Area 73.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 110
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

N,N-bis(2-hydroxypropyl)nitrosamine is a nitrosamine that is dipropylamine in which the hydrogen attached to the nitrogen has been replaced by a nitroso group. It is a genotoxic carcinogen, targeting the lung, liver, thyroid, and kidney. It has a role as a carcinogenic agent. It is a nitrosamine, a secondary alcohol and a diol.