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684-93-5

684-93-5 structural image
Product Name: 1-Methyl-1-nitrosourea
Formula: C2H5N3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description N-nitroso-n-methylurea appears as pale yellow crystals or light yellow moist powder. (NTP, 1992)
Color/Form Colorless or yellow plates from ethanol
Melting Point 255 °F (decomposes) (NTP, 1992)
Solubility less than 1 mg/mL at 64 °F (NTP, 1992)
Density less than 1.0 (NTP, 1992)
Vapor Pressure Non-volatile (NTP, 1992)
LogP log Kow = -0.03
Stability/Shelf Life Decomposes to diazomethane in alkaline solutions; stability in aqueous solutions is pH-dependent (at 20 °C).
Decomposition Melting point: 124 °C (decomposition).
Other Experimental Properties Decomposes to diazomethane in alkaline solutions; stability in aqueous solutions is pH dependent: pH 4.0, half-life 125 hours; pH 6.0, half-life 24 hours; pH 7.0, half-life 1.2 hours; pH 8.0, half-life 0.1 hours; and pH 9, half-life 0.03 hours (at 20 °C).
Chemical Classes Nitrogen Compounds -> Nitrosamines

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H228:Flammable solids
H301:Acute toxicity,oral
H350:Carcinogenicity
H360:Reproductive toxicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 103.08 g/mol
XLogP3 0
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 103.038176411 g/mol
Monoisotopic Mass 103.038176411 g/mol
Topological Polar Surface Area 75.8 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 90.9
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-nitroso-n-methylurea appears as pale yellow crystals or light yellow moist powder. (NTP, 1992)

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