200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 139549-68-1
139549-68-1 | Pyridinium, 1-dodecyl-, chloride, hydrate (1:1:1)
CAS No: 139549-68-1 Catalog No: AG001B82 MDL No:MFCD00150002
Product Description
Catalog Number:
AG001B82
Chemical Name:
Pyridinium, 1-dodecyl-, chloride, hydrate (1:1:1)
CAS Number:
139549-68-1
Molecular Formula:
C17H32ClNO
Molecular Weight:
301.8951
MDL Number:
MFCD00150002
IUPAC Name:
1-dodecylpyridin-1-ium;chloride;hydrate
InChI:
InChI=1S/C17H30N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H;1H2/q+1;;/p-1
InChI Key:
BDGGUWSWAKGEGH-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.217g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.899g/mol
Monoisotopic Mass:
301.217g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.