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125615-20-5 | Alanine, 2-methyl-N-(1-oxohexadecyl)-
CAS No: 125615-20-5 Catalog No: AG000NYW MDL No:
Product Description
Catalog Number:
AG000NYW
Chemical Name:
Alanine, 2-methyl-N-(1-oxohexadecyl)-
CAS Number:
125615-20-5
Molecular Formula:
C20H39NO3
Molecular Weight:
341.5286
IUPAC Name:
2-(hexadecanoylamino)-2-methylpropanoic acid
InChI:
InChI=1S/C20H39NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22)21-20(2,3)19(23)24/h4-17H2,1-3H3,(H,21,22)(H,23,24)
InChI Key:
XBHRVWHWMMIUDJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.293g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.536g/mol
Monoisotopic Mass:
341.293g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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