Product Name

  • Name

    1-methoxy-1-methyl-3-[4-[2-(4-methylphenyl)ethoxy]phenyl]urea

  • EINECS
  • CAS No. 68358-79-2
  • Article Data2
  • CAS DataBase
  • Density 1.163g/cm3
  • Solubility
  • Melting Point
  • Formula C18H22N2O3
  • Boiling Point °Cat760mmHg
  • Molecular Weight 314.384
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 68358-79-2 (1-methoxy-1-methyl-3-[4-[2-(4-methylphenyl)ethoxy]phenyl]urea)
  • Hazard Symbols
  • Synonyms S-3552;
  • PSA 50.80000
  • LogP 3.71460

N'-4-(4-Methylphenethyloxy)phenyl-N-methoxy-N-methylurea Chemical Properties

Molecule structure of N'-4-(4-Methylphenethyloxy)phenyl-N-methoxy-N-methylurea (CAS NO.68358-79-2):

IUPAC Name: 1-Methoxy-1-methyl-3-[4-[2-(4-methylphenyl)ethoxy]phenyl]urea 
Molecular Weight: 314.37888 g/mol
Molecular Formula: C18H22N2O3 
Density: 1.163 g/cm3
Index of Refraction: 1.59
Molar Refractivity: 91.24 cm3
Molar Volume: 270.1 cm3
Polarizability: 36.17×10-24 cm3
Surface Tension: 45.7 dyne/cm
XLogP3: 3.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 314.163043
MonoIsotopic Mass: 314.163043
Topological Polar Surface Area: 50.8
Heavy Atom Count: 23
Complexity: 348
Canonical SMILES: CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)NC(=O)N(C)OC
InChI: InChI=1S/C18H22N2O3/c1-14-4-6-15(7-5-14)12-13-23-17-10-8-16(9-11-17)19-18(21)20(2)22-3/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKey of N'-4-(4-Methylphenethyloxy)phenyl-N-methoxy-N-methylurea (CAS NO.68358-79-2): XZNOYUSOBQSRNI-UHFFFAOYSA-N

N'-4-(4-Methylphenethyloxy)phenyl-N-methoxy-N-methylurea Toxicity Data With Reference

1.    

orl-mus LD50:1340 mg/kg

     NNGADV    Nippon Noyaku Gakkaishi. 10 (1985),211.

N'-4-(4-Methylphenethyloxy)phenyl-N-methoxy-N-methylurea Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.

N'-4-(4-Methylphenethyloxy)phenyl-N-methoxy-N-methylurea Specification

 N'-4-(4-Methylphenethyloxy)phenyl-N-methoxy-N-methylurea (CAS NO.68358-79-2) is also named as BRN 3065568 ; N-Methoxy-N-methyl-N'-(4-(2-(p-tolyl)ethoxy)phenyl)urea ; S-3552 ; Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)- .

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