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30901-67-8 | Pyridinium, 1-[(dodecylphenyl)methyl]-, chloride (1:1)
CAS No: 30901-67-8 Catalog No: AG0031MI MDL No:
Product Description
Catalog Number:
AG0031MI
Chemical Name:
Pyridinium, 1-[(dodecylphenyl)methyl]-, chloride (1:1)
CAS Number:
30901-67-8
Molecular Formula:
C24H36ClN
Molecular Weight:
374.0023
IUPAC Name:
1-(1-phenyltridecyl)pyridin-1-ium;chloride
InChI:
InChI=1S/C24H36N.ClH/c1-2-3-4-5-6-7-8-9-10-15-20-24(23-18-13-11-14-19-23)25-21-16-12-17-22-25;/h11-14,16-19,21-22,24H,2-10,15,20H2,1H3;1H/q+1;/p-1
InChI Key:
MTFJOJGLMOTDPS-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCc1ccccc1C[n+]1ccccc1.[Cl-]
EC Number:
250-381-4
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.254g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.009g/mol
Monoisotopic Mass:
373.254g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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