(R)-(+)-1-(p-Tolyl)ethylamine - ≥98% , CAS No.4187-38-6

CAS: 4187-38-6 Cat. No.: R160847 Molecular Weight: 135.21 Beilstein Registry Number: 3195430 EC Number: 624-182-1

GRADE & PURITY ≥98%

Synonyms

(S)-(-)-4-(1-Aminoethyl)toluene | 1-(4-Methylphenyl)ethanamine # | AKOS015840492 | EN300-112618 | 2(R)-aminopropanol | (R)-(+)-1-(4-Methylphenyl)ethylamine | (R)-1-(4-methylphenyl)ethylamine | (R)-1-(4-methylphenyl)-ethylamine | BP-12897 | SCHEMBL353336 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

(R)-(+)-α,4-Dimethylbenzylamine is a chiral amine
(R)-(+)-α,4-Dimethylbenzylamine reacts with 1,5-difluoro-2,4-dinitrobenzene (DFDNB) to form a chiral derivative reagent(CDR) via substitution of one fluorine atom.

Specifications

Synonyms

(S)-(-)-4-(1-Aminoethyl)toluene | 1-(4-Methylphenyl)ethanamine # | AKOS015840492 | EN300-112618 | 2(R)-aminopropanol | (R)-(+)-1-(4-Methylphenyl)ethylamine | (R)-1-(4-methylphenyl)ethylamine | (R)-1-(4-methylphenyl)-ethylamine | BP-12897 | SCHEMBL353336 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196046
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196046
• Canonical Smiles: CC1=CC=C(C=C1)C(C)N
• IUPAC Name: (1R)-1-(4-methylphenyl)ethanamine
• InChIKey: UZDDXUMOXKDXNE-MRVPVSSYSA-N
• INCHI: 1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m1/s1
• Isomeric SMILES: CC1=CC=C(C=C1)[C@@H](C)N
• WGK Germany: 3
• Molecular Weight: 135.21
• Beilstein: 3195430
• Reaxy-Rn: 2411643
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2411643&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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 toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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

• Sensitivity: Air Sensitive
• Refractive Index: 1.5215
• Specific Rotation[α]: +37°, neat
• Flash Point(°F): 179.6 °F
• Flash Point(°C): 82°C(lit.)
• Boil Point(°C): 204℃
• Melt Point(°C): <-20℃
• Molecular Weight: 135.210 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 92.900
• 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