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93-23-2 | 2-dodecylisoquinolinium bromide
CAS No: 93-23-2 Catalog No: AG0038J9 MDL No:
Product Description
Catalog Number:
AG0038J9
Chemical Name:
2-dodecylisoquinolinium bromide
CAS Number:
93-23-2
Molecular Formula:
C21H32BrN
Molecular Weight:
378.3895
IUPAC Name:
2-dodecylisoquinolin-2-ium;bromide
InChI:
InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1
InChI Key:
MSJLMQTXVKCUCD-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[n+]1ccc2c(c1)cccc2.[Br-]
EC Number:
202-230-9
UNII:
09TM5K0O34
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.172g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.398g/mol
Monoisotopic Mass:
377.172g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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