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122290-18-0 | 1-Tetradecanaminium, N,N,N-tritetradecyl-, chloride (1:1)
CAS No: 122290-18-0 Catalog No: AG00171X MDL No:
Product Description
Catalog Number:
AG00171X
Chemical Name:
1-Tetradecanaminium, N,N,N-tritetradecyl-, chloride (1:1)
CAS Number:
122290-18-0
Molecular Formula:
C56H116ClN
Molecular Weight:
838.9799
IUPAC Name:
tetra(tetradecyl)azanium;chloride
InChI:
InChI=1S/C56H116N.ClH/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57(54-50-46-42-38-34-30-26-22-18-14-10-6-2,55-51-47-43-39-35-31-27-23-19-15-11-7-3)56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-56H2,1-4H3;1H/q+1;/p-1
InChI Key:
WMYSUWWACPXNAE-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.[Cl-]
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
837.88g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
839.001g/mol
Monoisotopic Mass:
837.88g/mol
Rotatable Bond Count:
52
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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