(S)-1-(2-Methoxyphenyl)ethanamine - ≥95% , CAS No.68285-24-5

CAS: 68285-24-5 Cat. No.: S589866 Molecular Weight: 151.21 EC Number: 662-813-2

GRADE & PURITY ≥95%

Synonyms

(S)-(-)-2-Methoxy a-methylbenzylamine | EN300-87753 | (1S)-1-(2-methoxyphenyl)ethylamine | (1S)-1-(2-methoxyphenyl)-ethylamine | AKOS010377903 | (S)-2-Methoxy-alpha-methylbenzylamine, ChiPros(R), produced by BASF, 99% | (1S)-1-(2-methoxyphenyl)ethanamine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

(S)-1-(2-Methoxyphenyl)ethylamine play an important role in stereoselective organic synthesis. They are used directly as resolving agents, building blocks or chiral auxiliaries.

Specifications

Synonyms

(S)-(-)-2-Methoxy a-methylbenzylamine | EN300-87753 | (1S)-1-(2-methoxyphenyl)ethylamine | (1S)-1-(2-methoxyphenyl)-ethylamine | AKOS010377903 | (S)-2-Methoxy-alpha-methylbenzylamine, ChiPros(R), produced by BASF, 99% | (1S)-1-(2-methoxyphenyl)ethanamine

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C1=CC=CC=C1OC)N
• IUPAC Name: (1S)-1-(2-methoxyphenyl)ethanamine
• InChIKey: VENQOHAPVLVQKV-ZETCQYMHSA-N
• INCHI: 1S/C9H13NO/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7H,10H2,1-2H3/t7-/m0/s1
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1OC)N
• Alternate CAS: 68285-24-5
• Molecular Weight: 151.21
• Reaxy-Rn: 2083269
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2083269&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water(22 g/L).
• Sensitivity: Air sensitive
• Boil Point(°C): 118°/17mm
• Molecular Weight: 151.210 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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