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113806-13-6 | Propanamide, 2-amino-N,N-dihexadecyl-, (R)- (9CI)
CAS No: 113806-13-6 Catalog No: AG0009QX MDL No:
Product Description
Catalog Number:
AG0009QX
Chemical Name:
Propanamide, 2-amino-N,N-dihexadecyl-, (R)- (9CI)
CAS Number:
113806-13-6
Molecular Formula:
C35H72N2O
Molecular Weight:
536.9590
IUPAC Name:
2-amino-N,N-dihexadecylpropanamide
InChI:
InChI=1S/C35H72N2O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(35(38)34(3)36)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34H,4-33,36H2,1-3H3
InChI Key:
BOEQTSNQWJQKSQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN(C(=O)[C@H](N)C)CCCCCCCCCCCCCCCC
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.564g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
536.974g/mol
Monoisotopic Mass:
536.564g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
14.7
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