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10139-98-7 | 8-Azoniabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8,8-dimethyl-, bromide, endo- (9CI)
CAS No: 10139-98-7 Catalog No: AG0004DI MDL No:
Product Description
Catalog Number:
AG0004DI
Chemical Name:
8-Azoniabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8,8-dimethyl-, bromide, endo- (9CI)
CAS Number:
10139-98-7
Molecular Formula:
C24H30BrNO
Molecular Weight:
428.4051
IUPAC Name:
(1R,5S)-8,8-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azoniabicyclo[3.2.1]octane;bromide
InChI:
InChI=1S/C24H30NO.BrH/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24;/h3-10,19-21,24H,11-16H2,1-2H3;1H/q+1;/p-1/t19-,20+,21?;
InChI Key:
QGWFPTKLAJPIMN-ILOBMFFHSA-M
SMILES:
C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2CCc2c1cccc2.[Br-]
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
427.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.414g/mol
Monoisotopic Mass:
427.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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