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114191-89-8 | 1-Tetradecanamine, 13-methyl-N,N-bis(13-methyltetradecyl)-
CAS No: 114191-89-8 Catalog No: AG000AR8 MDL No:
Product Description
Catalog Number:
AG000AR8
Chemical Name:
1-Tetradecanamine, 13-methyl-N,N-bis(13-methyltetradecyl)-
CAS Number:
114191-89-8
Molecular Formula:
C45H93N
Molecular Weight:
648.2266
IUPAC Name:
13-methyl-N,N-bis(13-methyltetradecyl)tetradecan-1-amine
InChI:
InChI=1S/C45H93N/c1-43(2)37-31-25-19-13-7-10-16-22-28-34-40-46(41-35-29-23-17-11-8-14-20-26-32-38-44(3)4)42-36-30-24-18-12-9-15-21-27-33-39-45(5)6/h43-45H,7-42H2,1-6H3
InChI Key:
OGJBXIZVJXUQQR-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCCCCN(CCCCCCCCCCCCC(C)C)CCCCCCCCCCCCC(C)C)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
647.731g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
648.246g/mol
Monoisotopic Mass:
647.731g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
21
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