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

CAS: 78710-55-1 Cat. No.: D479502 Formule: C₉H₁₃N Poids moléculaire: 135.21 Numéro CE: 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

Synonymes

(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 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

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

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528758013

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: light & Moisture sensitive
• Point d'ébullition (°C): 110°/18mm
• Poids moléculaire: 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