AG003SSL

77481-82-4 | N-Benzylquinidinium Chloride

AG003SSL

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	77481-82-4
Catalog Number	AG003SSL(AGN-PC-0UBTKM)
Chemical Name	N-Benzylquinidinium Chloride
EC Number	616-461-1
IUPAC Name	(S)-[(2R,4R,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;chloride
InChI	InChI=1S/C27H31N2O2.ClH/c1-3-20-18-29(17-19-7-5-4-6-8-19)14-12-21(20)15-26(29)27(30)23-11-13-28-25-10-9-22(31-2)16-24(23)25;/h3-11,13,16,20-21,26-27,30H,1,12,14-15,17-18H2,2H3;1H/q+1;/p-1/t20-,21+,26+,27-,29?;/m0./s1
InChI Key	JYDIJFKNXHPWBJ-RKCKPQLJSA-M
MDL Number	MFCD00198106
Molecular Formula	C27H31ClN2O2
Molecular Weight	451.0002
SMILES	C=C[C@@H]1[C@](CC2)([H])C[C@H]([C@@H](O)C3=CC=NC4=CC=C(OC)C=C34)[N+]2(CC5=CC=CC=C5)C1.[Cl-]
Synonyms	N-Benzylquinidinium Chloride, 77481-82-4, CTK8B2922, KS-000015LQ, ANW-41330, AKOS025394837, SC-08827, TR-024756, N-BenzylquinidiniumChloride[ChiralPhase-TransferCatalyst], N-BENZYLQUINIDINIUMCHLORIDE, N-Benzylquinidinium chloride, 98% - 1G 1g,

Complexity	620
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	450.207g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	451.007g/mol
Monoisotopic Mass	450.207g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number