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

CAS: 78710-55-1 Cat. No.: D479502 Formula: C₉H₁₃N Peso molecolare: 135.21 Numero EC: 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

Sinonimi

(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 |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

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

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528758013
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=CC(=CC(=C1)CN)C
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: light & Moisture sensitive
• Punto di ebollizione (°C): 110°/18mm
• Peso molecolare: 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