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163755-50-8 | Hexanoic acid, 6-[(12-aminododecyl)amino]-6-oxo-, methyl ester
CAS No: 163755-50-8 Catalog No: AG001UD5 MDL No:
Product Description
Catalog Number:
AG001UD5
Chemical Name:
Hexanoic acid, 6-[(12-aminododecyl)amino]-6-oxo-, methyl ester
CAS Number:
163755-50-8
Molecular Formula:
C19H38N2O3
Molecular Weight:
342.5166
IUPAC Name:
methyl 6-(12-aminododecylamino)-6-oxohexanoate
InChI:
InChI=1S/C19H38N2O3/c1-24-19(23)15-11-10-14-18(22)21-17-13-9-7-5-3-2-4-6-8-12-16-20/h2-17,20H2,1H3,(H,21,22)
InChI Key:
RJJZUXFLOSTDHO-UHFFFAOYSA-N
SMILES:
NCCCCCCCCCCCCNC(=O)CCCCC(=O)OC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.288g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.524g/mol
Monoisotopic Mass:
342.288g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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