200,000+ products from a single source!
sales@angenechem.com
13696-15-6 | Pyrrolidinium, 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethyl-, bromide (1:1)
CAS No: 13696-15-6 Catalog No: AG0012LZ MDL No:
Product Description
Catalog Number:
AG0012LZ
Chemical Name:
Pyrrolidinium, 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethyl-, bromide (1:1)
CAS Number:
13696-15-6
Molecular Formula:
C20H24BrNO3
Molecular Weight:
406.3135
IUPAC Name:
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide
InChI:
InChI=1S/C20H24NO3.BrH/c1-21(2)14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18,23H,13-15H2,1-2H3;1H/q+1;/p-1
InChI Key:
GXDDWKSWODZCSV-UHFFFAOYSA-M
SMILES:
O=C(C(c1ccccc1)(c1ccccc1)O)OC1CC[N+](C1)(C)C.[Br-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.32g/mol
Monoisotopic Mass:
405.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.