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125628-90-2 | Benzoic acid, 4-(dimethylamino)-, hexadecyl ester
CAS No: 125628-90-2 Catalog No: AG000NZQ MDL No:
Product Description
Catalog Number:
AG000NZQ
Chemical Name:
Benzoic acid, 4-(dimethylamino)-, hexadecyl ester
CAS Number:
125628-90-2
Molecular Formula:
C25H43NO2
Molecular Weight:
389.6144
IUPAC Name:
hexadecyl 4-(dimethylamino)benzoate
InChI:
InChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(27)23-18-20-24(21-19-23)26(2)3/h18-21H,4-17,22H2,1-3H3
InChI Key:
AKVJVOHFBWDVFW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1)N(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.329g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.624g/mol
Monoisotopic Mass:
389.329g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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