200,000+ products from a single source!
sales@angenechem.com
16826-19-0 | Isoquinolinium, 2-dodecyl-
CAS No: 16826-19-0 Catalog No: AG001XYW MDL No:
Product Description
Catalog Number:
AG001XYW
Chemical Name:
Isoquinolinium, 2-dodecyl-
CAS Number:
16826-19-0
Molecular Formula:
C21H32N+
Molecular Weight:
298.4855
IUPAC Name:
2-dodecylisoquinolin-2-ium
InChI:
InChI=1S/C21H32N/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/q+1
InChI Key:
ZFCMISKWVFUWHP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC[n+]1ccc2c(c1)cccc2
UNII:
3E4M46N97K
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.253g/mol
Formal Charge:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.494g/mol
Monoisotopic Mass:
298.253g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.