6-Bromoperhydroisoquinoline hydrobromide

CAT: 0127-OR22915Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR22915Size:1 Each

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CAS Number

90435-93-1

MDL Number

MFCD01565830

Purity

=95%

Smiles

Br.BrC1CCC2CNCCC2C1

Chemical Information

6-Bromodecahydroisoquinoline hydrobromide

CAS Number	90435-93-1
PubChem CID	2776085
IUPAC Name	6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;hydrobromide
Molecular Formula	C9H17Br2N
Molecular Weight	299.05
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	138

SMILES

C1CC2CNCCC2CC1Br.Br

InChI

InChI=1S/C9H16BrN.BrH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h7-9,11H,1-6H2;1H

InChIKey

MULJNNJCIXOMNU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90435-93-1

CID: 2776085

Formula: C9H17Br2N

MW: 299.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.05
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	298.97073
Monoisotopic Mass	296.97277
Topological Polar Surface Area	12 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR22914	5-Bromoperhydroisoquinoline hydrobromide
OR22919	4a-Bromoperhydroisoquinoline hydrobromide
OR96387	5,6-Dihydroxyindoline hydrobromide
OR30570-01	6- (Bromomethyl) isoquinoline hydrobromide
OR82303-01	6- (Bromomethyl) quinoline hydrobromide
OR1002767-01	2,2,6,6-Tetramethylpiperidine hydrobromide
OR85722-01	3-Bromo-6-cyclopropylpyridazine Hydrobromide
OR1052543-01	6-Methoxyquinolin-8-amine hydrobromide
OR1070149-01	(6-Aminohexyl) triphenylphosphonium bromide hydrobromide
OR30833-01	6- (Bromomethyl) -1H-indazole hydrobromide

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