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28947-77-5

28947-77-5 | 1-Hexadecanamine, N,N-dihexadecyl-

CAS No: 28947-77-5 Catalog No: AG002X63 MDL No:

Product Description

Catalog Number:
AG002X63
Chemical Name:
1-Hexadecanamine, N,N-dihexadecyl-
CAS Number:
28947-77-5
Molecular Formula:
C48H99N
Molecular Weight:
690.3064
IUPAC Name:
N,N-dihexadecylhexadecan-1-amine
InChI:
InChI=1S/C48H99N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49(47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3
InChI Key:
LYYLWJOKAQADDU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
EC Number:
608-294-8
UNII:
396I6A0OX1

Properties

Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
689.778g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
690.327g/mol
Monoisotopic Mass:
689.778g/mol
Rotatable Bond Count:
45  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
23.5  

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