N'-(3-(Dimethylureidylmethyl)-3,5,5-trimethylcyclohexyl)-N,N-dimethylurea

Base Information

• Chemical Name: N'-(3-(Dimethylureidylmethyl)-3,5,5-trimethylcyclohexyl)-N,N-dimethylurea
• CAS No.: 39992-90-0
• Deprecated CAS: 132580-72-4,121246-75-1
• Molecular Formula: C16H32 N4 O2
• Molecular Weight: 312.45
• Mol file: 39992-90-0.mol

Synonyms:N'-(3-(Dimethylureidylmethyl)-3,5,5-trimethylcyclohexyl)-N,N-dimethylurea;3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea;Urea, N'-(3-((((dimethylamino)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-N,N-dimethyl-;SCHEMBL14964832

Chemical Property of N'-(3-(Dimethylureidylmethyl)-3,5,5-trimethylcyclohexyl)-N,N-dimethylurea

Chemical Property:

• Vapor Pressure: 8.62E-11mmHg at 25°C
• Boiling Point: 516.9°Cat760mmHg
• Flash Point: 266.4°C
• PSA: 64.68000
• Density: 1.05g/cm³
• LogP: 2.89560
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 312.25252628
• Heavy Atom Count: 22
• Complexity: 420

Purity/Quality:

99% ^*data from raw suppliers

N'-[3-[[[(Dimethylamino)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-N,N-dimethyl-urea 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(CC(C1)(C)CNC(=O)N(C)C)NC(=O)N(C)C)C
• Isomeric SMILES: C[C@@]1(C[C@@H](CC(C1)(C)C)NC(=O)N(C)C)CNC(=O)N(C)C