(R)-(+)-N,α-Dimethylbenzylamine - ≥97% , CAS No.5933-40-4

CAS: 5933-40-4 Cat. No.: I171118 Molecular Weight: 135.21 EC Number: 611-818-8

GRADE & PURITY ≥97%

Synonyms

EN300-6479691 | (R)-(+)-N,alpha-Dimethylbenzylamine, 98% | (R)-(+)-N, | (R)-N-Methyl-alpha-methylbenzylamine | N12133 | Benzenemethanamine, N,alpha-dimethyl-, (alphaR)- | (r)-n-methyl-1-phenylethylamine | (R)-N-Methyl-alpha-phenylethylamine | 7IZ3431SC3 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

EN300-6479691 | (R)-(+)-N, alpha-Dimethylbenzylamine, 98% | (R)-(+)-N, | (R)-N-Methyl-alpha-methylbenzylamine | N12133 | Benzenemethanamine, N, alpha-dimethyl-, (alphaR)- | (r)-n-methyl-1-phenylethylamine | (R)-N-Methyl-alpha-phenylethylamine | 7IZ3431SC3 |

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 504760677
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760677
• Canonical Smiles: CC(C1=CC=CC=C1)NC
• IUPAC Name: (1R)-N-methyl-1-phenylethanamine
• InChIKey: RCSSHZGQHHEHPZ-MRVPVSSYSA-N
• INCHI: 1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m1/s1
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)NC
• WGK Germany: 3
• UN Number: 2619
• Packing Group: II
• Molecular Weight: 135.21
• Reaxy-Rn: 1931242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931242&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.511
• Flash Point(°F): 141.8 °F
• Flash Point(°C): 61 °C
• Boil Point(°C): 74-76 °C
• Molecular Weight: 135.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 84.700
• 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