200,000+ products from a single source!
sales@angenechem.com
147137-16-4 | 1-Azoniabicyclo[2.2.2]octane, 3-[[(methylamino)carbonyl]oxy]-1-(2-propen-1-yl)-, bromide (1:1)
CAS No: 147137-16-4 Catalog No: AG001ENJ MDL No:
Product Description
Catalog Number:
AG001ENJ
Chemical Name:
1-Azoniabicyclo[2.2.2]octane, 3-[[(methylamino)carbonyl]oxy]-1-(2-propen-1-yl)-, bromide (1:1)
CAS Number:
147137-16-4
Molecular Formula:
C12H21BrN2O2
Molecular Weight:
305.2113
IUPAC Name:
(1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-methylcarbamate;bromide
InChI:
InChI=1S/C12H20N2O2.BrH/c1-3-6-14-7-4-10(5-8-14)11(9-14)16-12(15)13-2;/h3,10-11H,1,4-9H2,2H3;1H
InChI Key:
BXDQGQQKPNCSLK-UHFFFAOYSA-N
SMILES:
CNC(=O)OC1C[N+]2(CCC1CC2)CC=C.[Br-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.216g/mol
Monoisotopic Mass:
304.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.