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89449-11-6 | 2-Propanol, 1-(4-aminobutoxy)-3-(hexadecyloxy)-
CAS No: 89449-11-6 Catalog No: AG00434B MDL No:
Product Description
Catalog Number:
AG00434B
Chemical Name:
2-Propanol, 1-(4-aminobutoxy)-3-(hexadecyloxy)-
CAS Number:
89449-11-6
Molecular Formula:
C23H49NO3
Molecular Weight:
387.6401
IUPAC Name:
1-(4-aminobutoxy)-3-hexadecoxypropan-2-ol
InChI:
InChI=1S/C23H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-26-21-23(25)22-27-20-17-15-18-24/h23,25H,2-22,24H2,1H3
InChI Key:
KUGYWUAKSFXJFT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(COCCCCN)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.371g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.649g/mol
Monoisotopic Mass:
387.371g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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