3,5-Dimethylbenzylamine - ≥97% , CAS No.78710-55-1

CAS: 78710-55-1 Cat. No.: D479502 Summenformel: C₉H₁₃N Molekulargewicht: 135.21 EG-Nummer: 278-974-3

GRADE & PURITY ≥97%

Synonyms

(3,5-dimethyl)benzylamine | AKOS000163738 | DZBHNPJZCQWUCG-UHFFFAOYSA-N | AS-44226 | SCHEMBL43251 | 2-(45-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOL | 3,5-Dimethylbenzylamine | EN300-298360 | DTXSID00999965 | 3,5-Dimethylbenzylamine, AldrichCPR | EINECS 278-974-3 |

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

(3,5-dimethyl)benzylamine | AKOS000163738 | DZBHNPJZCQWUCG-UHFFFAOYSA-N | AS-44226 | SCHEMBL43251 | 2-(45-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOL | 3,5-Dimethylbenzylamine | EN300-298360 | DTXSID00999965 | 3,5-Dimethylbenzylamine, AldrichCPR | EINECS 278-974-3 |

Spezifikationen & Reinheit

≥97%

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528758013
• Kanonisches Lächeln: CC1=CC(=CC(=C1)CN)C
• IUPAC Name: (3,5-dimethylphenyl)methanamine
• InChIKey: DZBHNPJZCQWUCG-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6,10H2,1-2H3
• Isomere SMILES: CC1=CC(=CC(=C1)CN)C
• Molekulargewicht: 135.21
• Reaxy-Rn: 2689526
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689526&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

• Empfindlichkeit: light & Moisture sensitive
• Siedepunkt (°C): 110°/18mm
• 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: 90.900
• 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