3-Methylbenzylamine - ≥97%(GC) , CAS No.100-81-2

CAS: 100-81-2 Cat. No.: M158668 Formula: C₈H₁₁N Peso molecolare: 121.18 Beilstein Registry Number: 12(4)2565 Numero EC: 202-890-8

GRADE & PURITY ≥97%(GC)

Synonyms

M1274 | m-Tolylmethanamine | JRQ2PCL7ZU | 3-tolylmethylamine | 3-Methylbenzyl amine | alpha-Amino-m-xylene | AM83138 | 3-Methylbenzylamine, 98% | CK2411 | 3-methyl-benzylamin | m-Methylbenzylamine | BB 0253725 | DTXSID3059218 | MFCD00008118 | Benzylamine,

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

3-Methylbenzylamine ({(3-chlorophenyl)methanamine}) has been used as a templating agent in the synthesis of amine-templated materials containing two-dimensional lithium beryllofluoride sheets of the stoichiometry [LiBeF(4)](-).It has also been used to study the chromatographic behavior of a series of substituted aniline and pyridine basic compounds on C18 bonded silica.

Specifications

Sinonimi

M1274 | m-Tolylmethanamine | JRQ2PCL7ZU | 3-tolylmethylamine | 3-Methylbenzyl amine | alpha-Amino-m-xylene | AM83138 | 3-Methylbenzylamine, 98% | CK2411 | 3-methyl-benzylamin | m-Methylbenzylamine | BB 0253725 | DTXSID3059218 | MFCD00008118 | Benzylamine,

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

504754017

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754017

Sorrisi canonici

CC1=CC(=CC=C1)CN

IUPAC Name

(3-methylphenyl)methanamine

InChIKey

RGXUCUWVGKLACF-UHFFFAOYSA-N

INCHI

1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3

Isomeri SMILES

CC1=CC(=CC=C1)CN

WGK Germania

3

Peso molecolare

121.18

Beilstein

12(4)2565

Reaxy-Rn

507474

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507474&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Toluenes Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Toluene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrizione: 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

Data sources

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.54
• Punto di infiammabilità (°F): 177.8 °F
• Punto di infiammabilità (°C): 81 °C
• Punto di ebollizione (°C): 206 °C
• Peso molecolare: 121.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.600
• 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

Domande frequenti

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 100-81-2, the molecular formula is C8H11N, and the molecular weight is 121.18 g/mol. InChIKey RGXUCUWVGKLACF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.