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(4aS，9bR)-6-Bromo-2，3，4，4a，5，9b-hexahydro-1H-pyrido[4，3-b]indole - ≥97%, high purity , CAS No.1059630-07-7

COA

Grade & Purity:

≥97%

Cas Number: 1059630-07-7
Molecular Weight: 253.14
MDL number: MFCD30663123
PubChem CID: 59317963

In stock

Item Number

B768366

Grouped product items
SKU	Size	Availability	Price
B768366-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90
B768366-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
B768366-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$476.90
B768366-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,637.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolines
Intermediate Tree Nodes	Not available
Direct Parent	Indolines
Alternative Parents	Secondary alkylarylamines Aralkylamines Piperidines Benzenoids Aryl bromides Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroindole - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Benzenoid - Piperidine - Secondary aliphatic amine - Azacycle - Secondary amine - Organohalogen compound - Amine - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
INCHI	InChI=1S/C11H13BrN2/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,8,10,13-14H,4-6H2/t8-,10-/m0/s1
InChIKey	LPBJHSPFSUDRSY-WPRPVWTQSA-N
Smiles	C1CNCC2C1NC3=C2C=CC=C3Br
Isomeric SMILES	C1CNC[C@@H]2[C@H]1NC3=C2C=CC=C3Br
PubChem CID	59317963
Molecular Weight	253.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.140 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	252.026 Da
Monoisotopic Mass	252.026 Da
Topological Polar Surface Area	24.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	221.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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