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1-[5-(Trifluoromethyl)pyrid-2-yl]-1，4-diazepane - ≥95%, high purity , CAS No.306934-70-3

COA

Grade & Purity:

≥95%

Cas Number: 306934-70-3
Molecular Weight: 245.25
PubChem CID: 2760779

In stock

Item Number

D700422

Grouped product items
SKU	Size	Availability	Price	Qty
D700422-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$131.90
D700422-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$497.90

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	Aminopyridines and derivatives 1,4-diazepanes Imidolactams Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dialkylarylamine - 1,4-diazepane - Aminopyridine - Diazepane - Pyridine - Imidolactam - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organopnictogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - 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-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane
INCHI	InChI=1S/C11H14F3N3/c12-11(13,14)9-2-3-10(16-8-9)17-6-1-4-15-5-7-17/h2-3,8,15H,1,4-7H2
InChIKey	IBMSHQVIAUTKDL-UHFFFAOYSA-N
Smiles	C1CNCCN(C1)C2=NC=C(C=C2)C(F)(F)F
Isomeric SMILES	C1CNCCN(C1)C2=NC=C(C=C2)C(F)(F)F
PubChem CID	2760779
Molecular Weight	245.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.240 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	245.114 Da
Monoisotopic Mass	245.114 Da
Topological Polar Surface Area	28.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	245.000
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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