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162361-39-9 | 1,3-Propanediol, 2-amino-2-[2-(4-undecylphenyl)ethyl]-
CAS No: 162361-39-9 Catalog No: AG001T20 MDL No:
Product Description
Catalog Number:
AG001T20
Chemical Name:
1,3-Propanediol, 2-amino-2-[2-(4-undecylphenyl)ethyl]-
CAS Number:
162361-39-9
Molecular Formula:
C22H39NO2
Molecular Weight:
349.5506
IUPAC Name:
2-amino-2-[2-(4-undecylphenyl)ethyl]propane-1,3-diol
InChI:
InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-20-12-14-21(15-13-20)16-17-22(23,18-24)19-25/h12-15,24-25H,2-11,16-19,23H2,1H3
InChI Key:
WYGWVODZJQOCQI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1ccc(cc1)CCC(CO)(CO)N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.298g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
349.559g/mol
Monoisotopic Mass:
349.298g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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