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90144-76-6 | Quinolinium, 1-[(4-dodecylphenyl)methyl]-, chloride
CAS No: 90144-76-6 Catalog No: AG00H70Q MDL No:
Product Description
Catalog Number:
AG00H70Q
Chemical Name:
Quinolinium, 1-[(4-dodecylphenyl)methyl]-, chloride
CAS Number:
90144-76-6
Molecular Formula:
C28H38ClN
Molecular Weight:
424.0610
IUPAC Name:
1-[(4-dodecylphenyl)methyl]quinolin-1-ium;chloride
InChI:
InChI=1S/C28H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-25-19-21-26(22-20-25)24-29-23-14-17-27-16-12-13-18-28(27)29;/h12-14,16-23H,2-11,15,24H2,1H3;1H/q+1;/p-1
InChI Key:
JSCZSAOEVHEZAM-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCc1ccc(cc1)C[n+]1cccc2c1cccc2.[Cl-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.269g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.069g/mol
Monoisotopic Mass:
423.269g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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