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102-88-5 | 1-Octadecanamine, N,N-dioctadecyl-
CAS No: 102-88-5 Catalog No: AG00069A MDL No:
Product Description
Catalog Number:
AG00069A
Chemical Name:
1-Octadecanamine, N,N-dioctadecyl-
CAS Number:
102-88-5
Molecular Formula:
C54H111N
Molecular Weight:
774.4658
IUPAC Name:
N,N-dioctadecyloctadecan-1-amine
InChI:
InChI=1S/C54H111N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
InChI Key:
BUHHOHWMNZQMTA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
773.872g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
774.489g/mol
Monoisotopic Mass:
773.872g/mol
Rotatable Bond Count:
51
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
26.8
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