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113422-82-5 | Benzoic acid, 4-amino-, octadecyl ester
CAS No: 113422-82-5 Catalog No: AG0008JI MDL No:
Product Description
Catalog Number:
AG0008JI
Chemical Name:
Benzoic acid, 4-amino-, octadecyl ester
CAS Number:
113422-82-5
Molecular Formula:
C25H43NO2
Molecular Weight:
389.6144
IUPAC Name:
octadecyl 4-aminobenzoate
InChI:
InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(27)23-18-20-24(26)21-19-23/h18-21H,2-17,22,26H2,1H3
InChI Key:
ULTMFMBEPIORKP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1)N
Properties
Complexity:
351
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:
1
Isotope Atom Count:
0
Molecular Weight:
389.624g/mol
Monoisotopic Mass:
389.329g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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