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3-(Methylamino)benzonitrile - 97%, high purity , CAS No.64910-52-7

COA

Grade & Purity:

≥97%

Cas Number: 64910-52-7
Molecular Weight: 132.16
PubChem CID: 17794036

In stock

Item Number

M194398

Grouped product items
SKU	Size	Availability	Price	Qty
M194398-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
M194398-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90

Basic Description

Synonyms	3-(methylamino)benzonitrile \| 64910-52-7 \| Benzonitrile, 3-(methylamino)- \| 3-methylaminobenzonitrile \| SCHEMBL361389 \| DTXSID30591012 \| XLZUKBAAILMFSU-UHFFFAOYSA-N \| MFCD11153024 \| AKOS000253989 \| BS-13247 \| CS-0135560 \| FT-0766274 \| EN300-55410 \| O10890 \| A867790 \| Z335274890
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Nitriles Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylalkylamine - Aniline or substituted anilines - Benzonitrile - Secondary aliphatic/aromatic amine - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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	3-(methylamino)benzonitrile
INCHI	InChI=1S/C8H8N2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,10H,1H3
InChIKey	XLZUKBAAILMFSU-UHFFFAOYSA-N
Smiles	CNC1=CC=CC(=C1)C#N
Isomeric SMILES	CNC1=CC=CC(=C1)C#N
Molecular Weight	132.16
Reaxy-Rn	2828366
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2828366&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	132.160 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	132.069 Da
Monoisotopic Mass	132.069 Da
Topological Polar Surface Area	35.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	145.000
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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