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96-31-1

96-31-1 structural image
Product Name: 1,3-Dimethylurea
Formula: C3H8N2O
Synonyms: 1,3-Dimethylurea;DMU;N,N′-Dimethylurea
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description N,n'-dimethylurea appears as colorless crystals. (NTP, 1992)
Color/Form RHOMBIC BIPYRAMIDAL CRYSTALS FROM CHLOROFORM-ETHER
Boiling Point 514 to 518 °F at 760 mmHg (NTP, 1992)
Melting Point 226 °F (NTP, 1992)
Flash Point 154 °C
Solubility greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Density 1.142 (NTP, 1992) - Denser than water; will sink
Vapor Pressure 0.54 [mmHg]
LogP -0.490
Autoignition Temperature 400 °C
Chemical Classes Nitrogen Compounds -> Urea Compounds

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P314:Get medical advice/attention if you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 88.11 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 88.063662883 g/mol
Monoisotopic Mass 88.063662883 g/mol
Topological Polar Surface Area 41.1 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 46.8
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,n'-dimethylurea appears as colorless crystals. (NTP, 1992)

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