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(3-Ethynylphenyl)methanamine - 96%, high purity , CAS No.615288-78-3

COA

Grade & Purity:

≥96%

Cas Number: 615288-78-3
Molecular Weight: 131.17
PubChem CID: 45079151

In stock

Item Number

E194206

Grouped product items
SKU	Size	Availability	Price	Qty
E194206-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$543.90

Basic Description

Synonyms	(3-ethynylphenyl)methanamine \| 615288-78-3 \| BENZENEMETHANAMINE, 3-ETHYNYL- \| Benzenemethanamine, 3-ethynyl- (9CI) \| SCHEMBL4338450 \| DTXSID40663658 \| MFCD10698132 \| AKOS006302957 \| 1-(3-ETHYNYLPHENYL)METHANAMINE \| AB61367 \| DS-5602 \| CS-0113089 \| FT-0651530 \| A15698 \| C75883 \| EN300-
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Aralkylamines Acetylides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylmethylamine - Benzylamine - Aralkylamine - Acetylide - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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-ethynylphenyl)methanamine
INCHI	InChI=1S/C9H9N/c1-2-8-4-3-5-9(6-8)7-10/h1,3-6H,7,10H2
InChIKey	FUICKQFQXRUYEN-UHFFFAOYSA-N
Smiles	C#CC1=CC=CC(=C1)CN
Isomeric SMILES	C#CC1=CC=CC(=C1)CN
Molecular Weight	131.17
Reaxy-Rn	9477481
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9477481&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	131.170 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	131.073 Da
Monoisotopic Mass	131.073 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	142.000
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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