N,N-Diethylbenzylamine - ≥98%(GC)(T) , CAS No.772-54-3

CAS: 772-54-3 Cat. No.: N159175 Peso molecular: 163.26 Número EC: 212-251-5

GRADE & PURITY ≥98%(GC)(T)

Synonyms

Benzyldiethylamine | Diethylbenzylamine | UNII-SVL34TWR94 | AKOS001434624 | Benzylamine,N-diethyl- | N-Benzyldiethylamine | STK116132 | SVL34TWR94 | AS-14219 | N,N-Dethylbenzylamne | InChI=1/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 | D1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Benzyldiethylamine | Diethylbenzylamine | UNII-SVL34TWR94 | AKOS001434624 | Benzylamine, N-diethyl- | N-Benzyldiethylamine | STK116132 | SVL34TWR94 | AS-14219 | N, N-Dethylbenzylamne | InChI=1/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H, 3-4, 10H2, 1-2H3 | D1

Especificaciones y pureza

≥98%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 504753751
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753751
• Sonrisas canónicas: CCN(CC)CC1=CC=CC=C1
• IUPAC Name: N-benzyl-N-ethylethanamine
• InChIKey: ZWRDBWDXRLPESY-UHFFFAOYSA-N
• INCHI: 1S/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
• Isómeros SMILES: CCN(CC)CC1=CC=CC=C1
• Peso molecular: 163.26
• Reaxy-Rn: 2207735
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207735&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Trialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Índice de refracción: 1.5
• Punto de inflamación (°F): 77°C(lit.)
• Punto de inflamación (°C): 77°C(lit.)
• Punto de ebullición (°C): 216 °C
• Peso molecular: 163.260 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136 Da
• Monoisotopic Mass: 163.136 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 102.000
• 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