200,000+ products from a single source!
sales@angenechem.com
2110-42-1 | Piperidinium, 1-(4-cyclohexyl-4-hydroxy-4-phenyl-2-butyn-1-yl)-1-methyl-, bromide (1:1)
CAS No: 2110-42-1 Catalog No: AG002L4B MDL No:
Product Description
Catalog Number:
AG002L4B
Chemical Name:
Piperidinium, 1-(4-cyclohexyl-4-hydroxy-4-phenyl-2-butyn-1-yl)-1-methyl-, bromide (1:1)
CAS Number:
2110-42-1
Molecular Formula:
C22H32BrNO
Molecular Weight:
406.3996
IUPAC Name:
1-cyclohexyl-4-(1-methylpiperidin-1-ium-1-yl)-1-phenylbut-2-yn-1-ol;bromide
InChI:
InChI=1S/C22H32NO.BrH/c1-23(17-9-4-10-18-23)19-11-16-22(24,20-12-5-2-6-13-20)21-14-7-3-8-15-21;/h2,5-6,12-13,21,24H,3-4,7-10,14-15,17-19H2,1H3;1H/q+1;/p-1
InChI Key:
KSBQPXXTFRCVKA-UHFFFAOYSA-M
SMILES:
C[N+]1(CCCCC1)CC#CC(c1ccccc1)(C1CCCCC1)O.[Br-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.408g/mol
Monoisotopic Mass:
405.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.