2,4-Dimethylbenzylamine - ≥98% , CAS No.94-98-4

CAS: 94-98-4 Cat. No.: D154182 Summenformel: C₉H₁₃N Molekulargewicht: 135.21 EG-Nummer: 202-380-5

GRADE & PURITY ≥98%

Synonyms

UNII-TQZ4VS5TJQ | 10923 | EN300-33146 | TQZ4VS5TJQ | 2,4-Dimethylbenzylamine | MFCD00025575 | (2,4-Dimethylphenyl)methanamine | D4525 | FT-0610175 | SB75411 | AM20041439 | 1-(2,4-dimethylphenyl)methanamine

Storage

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

Shipped In

Wet ice

Specifications

Synonyme

UNII-TQZ4VS5TJQ | 10923 | EN300-33146 | TQZ4VS5TJQ | 2,4-Dimethylbenzylamine | MFCD00025575 | (2,4-Dimethylphenyl)methanamine | D4525 | FT-0610175 | SB75411 | AM20041439 | 1-(2,4-dimethylphenyl)methanamine

Spezifikationen & Reinheit

≥98%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528755474

Kanonisches Lächeln

CC1=CC(=C(C=C1)CN)C

IUPAC Name

(2,4-dimethylphenyl)methanamine

InChIKey

GBSUVYGVEQDZPG-UHFFFAOYSA-N

INCHI

1S/C9H13N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6,10H2,1-2H3

Isomere SMILES

CC1=CC(=C(C=C1)CN)C

Molekulargewicht

135.21

Reaxy-Rn

636561

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636561&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 219°C(lit.)
• Molekulargewicht: 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: 101.000
• 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