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138969-01-4 | 1,3-Propanediol, 2-(dodecylamino)-
CAS No: 138969-01-4 Catalog No: AG0019Y2 MDL No:
Product Description
Catalog Number:
AG0019Y2
Chemical Name:
1,3-Propanediol, 2-(dodecylamino)-
CAS Number:
138969-01-4
Molecular Formula:
C15H33NO2
Molecular Weight:
259.4280
IUPAC Name:
2-(dodecylamino)propane-1,3-diol
InChI:
InChI=1S/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-15(13-17)14-18/h15-18H,2-14H2,1H3
InChI Key:
MSKNATSZRVQUDC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(CO)CO
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.251g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.434g/mol
Monoisotopic Mass:
259.251g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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