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Urea, N-methyl-(CAS No. 598-50-5)

Urea, N-methyl- C2H6N2O (cas 598-50-5) Molecular Structure

598-50-5 Structure

Identification and Related Records

【Name】
Urea, N-methyl-
【Iupac name】
methylurea
【CAS Registry number】
598-50-5
【Synonyms】
Urea,methyl- (6CI,8CI,9CI)
1-Methylurea
Methylurea
Monomethylurea
N-Methylurea
【EINECS(EC#)】
209-935-0
【Molecular Formula】
C2H6N2O (Products with the same molecular formula)
【Molecular Weight】
74.08
【Inchi】
InChI=1/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
【Canonical SMILES】
CNC(=O)N
【MOL File】
598-50-5.mol

Chemical and Physical Properties

【Appearance】
White, crystalline needles.
【Density】
1.041 g/cm3
【Melting Point】
98-102℃
【Boiling Point】
114.6 °C at 760 mmHg
【Refractive Index】
1.432
【Flash Point】
23.1 °C
【Water】
1000 g/L (20℃)
【Solubilities】
1000 g/L (20 ºC)
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29241900
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use.
【Computed Properties】
Molecular Weight:74.08184 [g/mol]
Molecular Formula:C2H6N2O
XLogP3:-1.4
H-Bond Donor:2
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:3
Exact Mass:74.048013
MonoIsotopic Mass:74.048013
Topological Polar Surface Area:55.1
Heavy Atom Count:5
Formal Charge:0
Complexity:42.9
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
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R20/21/22;R37;R68
【Safety Statements 】
S36/37;S45

Supplier Location

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