3-(4-Allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-1,3-propanediol

Base Information

• Chemical Name: 3-(4-Allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-1,3-propanediol
• CAS No.: 102612-78-2
• Molecular Formula: C18H27 N O4
• Molecular Weight: 321.41
• DSSTox Substance ID: DTXSID80907927
• Nikkaji Number: J90.860F
• Mol file: 102612-78-2.mol

Synonyms:102612-78-2;3-(4-Allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-1,3-propanediol;1-[2-methoxy-4-prop-2-enyl-6-(pyrrolidin-1-ylmethyl)phenoxy]propane-1,3-diol;1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-;1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy) -;3-[4-Allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy]-1,3-propanediol;DTXSID80907927;WEFSKSMUNSBUFU-UHFFFAOYSA-N;LS-120121;1-{2-Methoxy-4-(prop-2-en-1-yl)-6-[(pyrrolidin-1-yl)methyl]phenoxy}propane-1,3-diol

Chemical Property of 3-(4-Allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-1,3-propanediol

Chemical Property:

• Vapor Pressure: 5.62E-10mmHg at 25°C
• Boiling Point: 478.8°Cat760mmHg
• Flash Point: 243.4°C
• PSA: 62.16000
• Density: 1.152g/cm³
• LogP: 2.03700
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 321.19400834
• Heavy Atom Count: 23
• Complexity: 346

Purity/Quality:

1,3-PROPANEDIOL, 3-(4-ALLYL-2-METHOXY-6-(1-PYRROLIDINYLMETHYL)PHENOXY)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC(CCO)O)CN2CCCC2)CC=C