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116778-08-6 | Octadecanoic acid, 2-amino-2-methylpropyl ester
CAS No: 116778-08-6 Catalog No: AG000D75 MDL No:
Product Description
Catalog Number:
AG000D75
Chemical Name:
Octadecanoic acid, 2-amino-2-methylpropyl ester
CAS Number:
116778-08-6
Molecular Formula:
C22H45NO2
Molecular Weight:
355.5982
IUPAC Name:
(2-amino-2-methylpropyl) octadecanoate
InChI:
InChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)25-20-22(2,3)23/h4-20,23H2,1-3H3
InChI Key:
OSQFRQIGHNJUPC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(N)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.345g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.607g/mol
Monoisotopic Mass:
355.345g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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