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1,2,3,4,5,6-Hexahydrobenzo[b][1,5]diazocine - 97%, high purity , CAS No.13481-83-9

COA

Grade & Purity:

≥97%

Cas Number: 13481-83-9
Molecular Weight: 162.23
PubChem CID: 12836970

In stock

Item Number

H190647

Grouped product items
SKU	Size	Availability	Price	Qty
H190647-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$709.90

Discover 1,2,3,4,5,6-Hexahydrobenzo[b][1,5]diazocine by Aladdin Scientific in 97% for only $709.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Secondary amines
        Level6 Secondary alkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Secondary amines
Direct Parent	Secondary alkylarylamines
Alternative Parents	Aralkylamines Benzenoids Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl).
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	1,2,3,4,5,6-hexahydro-1,5-benzodiazocine
INCHI	InChI=1S/C10H14N2/c1-2-5-10-9(4-1)8-11-6-3-7-12-10/h1-2,4-5,11-12H,3,6-8H2
InChIKey	HPUCAJGSVHDALO-UHFFFAOYSA-N
Smiles	C1CNCC2=CC=CC=C2NC1
Isomeric SMILES	C1CNCC2=CC=CC=C2NC1
Molecular Weight	162.23
Reaxy-Rn	608808
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608808&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	162.230 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	162.116 Da
Monoisotopic Mass	162.116 Da
Topological Polar Surface Area	24.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	136.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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