1,3-Propanediol, 2-amino-2-[2-(4-nonylphenyl)ethyl]-

Base Information

• Chemical Name: 1,3-Propanediol, 2-amino-2-[2-(4-nonylphenyl)ethyl]-
• CAS No.: 746594-44-5
• Molecular Formula: C20H35NO2
• Molecular Weight: 321.49700
• UNII: A5N3SI7GZ1
• DSSTox Substance ID: DTXSID30445228
• Nikkaji Number: J1.403.744F
• Wikidata: Q82263584
• ChEMBL ID: CHEMBL169107
• Mol file: 746594-44-5.mol

Synonyms:746594-44-5;Fingolimod nonyl homolog;2-amino-2-[2-(4-nonylphenyl)ethyl]propane-1,3-diol;Des(octyl)nonyl fingolimod;A5N3SI7GZ1;1,3-Propanediol, 2-amino-2-[2-(4-nonylphenyl)ethyl]-;UNII-A5N3SI7GZ1;Fingolimod nonyl homolog [USP];2-amino-2-(4-nonylphenethyl)propane-1,3-diol;2-Amino-2-(2-(4-nonylphenyl)ethyl)-1,3-propanediol;1,3-Propanediol, 2-amino-2-(2-(4-nonylphenyl)ethyl)-;CHEMBL169107;SCHEMBL1372656;DTXSID30445228;CS-0166360;2-Amino-2-(4-nonylphenethyl)-1,3-propanediol;FINGOLIMOD NONYL HOMOLOG [USP IMPURITY];FINGOLIMOD HYDROCHLORIDE IMPURITY C [EP IMPURITY];2-amino-2-(4-nonylphenethyl)propane-1,3-diol (Fingolimod Impurity

Chemical Property of 1,3-Propanediol, 2-amino-2-[2-(4-nonylphenyl)ethyl]-

Chemical Property:

• PSA: 66.48000
• LogP: 4.29470
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 321.266779359
• Heavy Atom Count: 23
• Complexity: 271

Purity/Quality:

HPLC ≥ 98% ^*data from raw suppliers

2-Amino-2-[2-(4-nonylphenyl)ethyl]-1,3-propanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N