2-sec-Butyl-2-methyl-1,3-propanediol 2-propynylcarbamate

Base Information

• Chemical Name: 2-sec-Butyl-2-methyl-1,3-propanediol 2-propynylcarbamate
• CAS No.: 25384-49-0
• Molecular Formula: C12H21 N O3
• Molecular Weight: 227.3
• DSSTox Substance ID: DTXSID00948231
• Nikkaji Number: J50.780F
• Mol file: 25384-49-0.mol

Synonyms:BRN 3049117;2-sec-Butyl-2-methyl-1,3-propanediol 2-propynylcarbamate;DTXSID00948231;1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate;2-(Hydroxymethyl)-2,3-dimethylpentyl hydrogen prop-2-yn-1-ylcarbonimidate

Chemical Property of 2-sec-Butyl-2-methyl-1,3-propanediol 2-propynylcarbamate

Chemical Property:

• Vapor Pressure: 1.68E-06mmHg at 25°C
• Boiling Point: 356.1°Cat760mmHg
• PKA: 11.01±0.46(Predicted)
• Flash Point: 169.2°C
• PSA: 58.56000
• Density: 1.03g/cm³
• LogP: 1.78140
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 227.15214353
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C)(CO)COC(=O)NCC#C