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156125-35-8 | Benzenepropanaminium, N-hexadecyl-N,N-dimethyl-, chloride (1:1)
CAS No: 156125-35-8 Catalog No: AG001OJ0 MDL No:
Product Description
Catalog Number:
AG001OJ0
Chemical Name:
Benzenepropanaminium, N-hexadecyl-N,N-dimethyl-, chloride (1:1)
CAS Number:
156125-35-8
Molecular Formula:
C27H50ClN
Molecular Weight:
424.1456
IUPAC Name:
hexadecyl-dimethyl-(3-phenylpropyl)azanium;chloride
InChI:
InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-28(2,3)26-21-24-27-22-18-17-19-23-27;/h17-19,22-23H,4-16,20-21,24-26H2,1-3H3;1H/q+1;/p-1
InChI Key:
XITSGDNCKAAJSW-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[N+](CCCc1ccccc1)(C)C.[Cl-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.363g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.154g/mol
Monoisotopic Mass:
423.363g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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