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13256-22-9

13256-22-9 structural image
Product Name: N-NITROSOSARCOSINE
Formula: C3H6N2O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pale yellow solid; [HSDB]
Color/Form Pale-yellow crystals
Melting Point 66-67 °C
Solubility Soluble in polar organic solvents; miscible with water
Vapor Pressure 0.00261 [mmHg]
Stability/Shelf Life The free acid is unstable in aqueous solution; a concentration decrease of more than 10% in 24 hr has been observed.
Decomposition When heated to decomposition it emits toxic fumes of ... /nitrogen oxides/.
Other Experimental Properties The free acid is unstable in aqueous solution.
Chemical Classes Nitrogen Compounds -> Nitrosamines

COMPUTED DESCRIPTORS

Molecular Weight 118.09 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 118.03784206 g/mol
Monoisotopic Mass 118.03784206 g/mol
Topological Polar Surface Area 70 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 103
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

N-nitrososarcosine is a nitrosamine that is sarcosine in which the hydrogen attached to the nitrogen has been replaced by a nitroso group. It has a role as a carcinogenic agent. It is a non-proteinogenic amino acid derivative and a nitrosamine. It is functionally related to a sarcosine.