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163755-54-2 | Benzoic acid, 3-[[(6-aminohexyl)amino]carbonyl]-, methyl ester
CAS No: 163755-54-2 Catalog No: AG001UD4 MDL No:
Product Description
Catalog Number:
AG001UD4
Chemical Name:
Benzoic acid, 3-[[(6-aminohexyl)amino]carbonyl]-, methyl ester
CAS Number:
163755-54-2
Molecular Formula:
C15H22N2O3
Molecular Weight:
278.3468
IUPAC Name:
methyl 3-(6-aminohexylcarbamoyl)benzoate
InChI:
InChI=1S/C15H22N2O3/c1-20-15(19)13-8-6-7-12(11-13)14(18)17-10-5-3-2-4-9-16/h6-8,11H,2-5,9-10,16H2,1H3,(H,17,18)
InChI Key:
NADNQOVPEIMFGA-UHFFFAOYSA-N
SMILES:
NCCCCCCNC(=O)c1cccc(c1)C(=O)OC
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.352g/mol
Monoisotopic Mass:
278.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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