2-Methylbenzylamine - ≥98%(GC) , CAS No.89-93-0

CAS: 89-93-0 Cat. No.: M158667 Molecular Weight: 121.18 Beilstein Registry Number: 12(3)2460 EC Number: 201-952-1

GRADE & PURITY ≥98%(GC)

Synonyms

2-methylbenzyl amine | FS-4070 | DTXSID3059000 | AP-770/40653937 | (2-Methylphenyl)methanamine # | 2-methylbenzenemethanamine | HMS1719E19 | o-Xylylamine | (2-Methylphenyl)methanamine | EINECS 201-952-1 | NSC 30466 | 2-tolylmethylamine | BENZYLAMINE, o-ME

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

2-Methylbenzylamine (o-Methylbenzylamine) was used in the preparation of boc-2-alkylanilines: N- (tert-butoxycarbonyl)-1-methylbenzylamine.

Specifications

Synonyms

2-methylbenzyl amine | FS-4070 | DTXSID3059000 | AP-770/40653937 | (2-Methylphenyl)methanamine # | 2-methylbenzenemethanamine | HMS1719E19 | o-Xylylamine | (2-Methylphenyl)methanamine | EINECS 201-952-1 | NSC 30466 | 2-tolylmethylamine | BENZYLAMINE, o-ME

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=C1CN
• IUPAC Name: (2-methylphenyl)methanamine
• InChIKey: CJAAPVQEZPAQNI-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
• Isomeric SMILES: CC1=CC=CC=C1CN
• WGK Germany: 3
• RTECS: DP5800000
• Molecular Weight: 121.18
• Beilstein: 12(3)2460
• Reaxy-Rn: 1099406
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099406&ln=

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 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
• 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

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.54
• Flash Point(°F): 183.2 °F
• Flash Point(°C): 84 °C
• Boil Point(°C): 82 °C/15 mmHg
• Molecular Weight: 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

References

1. Jun Dai, Juan Yang, Xiaohan Wang, Lei Zhang, Yingjie Li.  (2015)  Enhanced visible-light photocatalytic activity for selective oxidation of amines into imines over TiO2(B)/anatase mixed-phase nanowires.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2015.04.232]