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1-(3-methylpyridin-2-yl)-1，4-diazepane - ≥97%, high purity , CAS No.880362-05-0

COA

Grade & Purity:

≥97%

Cas Number: 880362-05-0
Molecular Weight: 191.28
PubChem CID: 16740663

In stock

Item Number

D728836

Grouped product items
SKU	Size	Availability	Price	Qty
D728836-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$531.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Tertiary alkylarylamines
        Level7 Dialkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines - Tertiary alkylarylamines
Direct Parent	Dialkylarylamines
Alternative Parents	Methylpyridines Aminopyridines and derivatives 1,4-diazepanes Imidolactams Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dialkylarylamine - Methylpyridine - Diazepane - Aminopyridine - 1,4-diazepane - Imidolactam - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
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-(3-methylpyridin-2-yl)-1,4-diazepane
INCHI	InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3
InChIKey	ATUSBQCZIPECGZ-UHFFFAOYSA-N
Smiles	CC1=C(N=CC=C1)N2CCCNCC2
Isomeric SMILES	CC1=C(N=CC=C1)N2CCCNCC2
PubChem CID	16740663
Molecular Weight	191.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.270 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	191.142 Da
Monoisotopic Mass	191.142 Da
Topological Polar Surface Area	28.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172.000
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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