4-tert-Butylbenzylamine - ≥97% , CAS No.39895-55-1

CAS: 39895-55-1 Cat. No.: T591006 Peso molecular: 163.26 Beilstein Registry Number: 12(3)2757 Número EC: 254-681-6 PubChem CID: 2735655

GRADE & PURITY ≥97%

Synonyms

AKOS000131017 | 4-tert-butylbenzyl amine | B1587 | DTXSID60192930 | SCHEMBL11653 | 4-tert-Butylbenzylamine | (4-(tert-butyl)phenyl)methanamine | 4-(tert-butyl)benzyl amine | 4-(tert-butyl)benzylamine | 4-t-butylbenzyl amine | FT-0639587 | (4-tert-Butylphe

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS000131017 | 4-tert-butylbenzyl amine | B1587 | DTXSID60192930 | SCHEMBL11653 | 4-tert-Butylbenzylamine | (4-(tert-butyl)phenyl)methanamine | 4-(tert-butyl)benzyl amine | 4-(tert-butyl)benzylamine | 4-t-butylbenzyl amine | FT-0639587 | (4-tert-Butylphe

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192748
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192748
• Sonrisas canónicas: CC(C)(C)C1=CC=C(C=C1)CN
• IUPAC Name: (4-tert-butylphenyl)methanamine
• InChIKey: MPWSRGAWRAYBJK-UHFFFAOYSA-N
• INCHI: 1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3
• Isómeros SMILES: CC(C)(C)C1=CC=C(C=C1)CN
• WGK Alemania: 3
• PubChem CID: 2735655
• Peso molecular: 163.26
• Beilstein: 12(3)2757
• Reaxy-Rn: 2961797

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Phenylmethylamine - Benzylamine - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Not miscible or difficult to mix with water.
• Sensibilidad: Sensitive to air; Sensitive to light
• Índice de refracción: 1.52
• Punto de inflamación (°F): 224.6 °F
• Punto de inflamación (°C): 107 °C
• Punto de ebullición (°C): 124°C/16mmHg
• Peso molecular: 163.260 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.136 Da
• Monoisotopic Mass: 163.136 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 126.000
• 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