Aniline-d₇ - ≥98 atom% D , CAS No.14545-23-4

CAS: 14545-23-4 Cat. No.: A133014 Fórmula: C₆D₅ND₂ Peso molecular: 100.17 Número EC: 238-580-4

GRADE & PURITY ≥98 atom% D

Synonyms

Aniline-d7|14545-23-4|(2H7)Aniline|Benzen-2,3,4,5,6-d5-amine-d2|N,N,2,3,4,5,6-heptadeuterioaniline|((2)H?)ANILINE|benzenamine-d7|EINECS 238-580-4|(?H?)aniline|Aniline-d7, 98 atom % D|SCHEMBL12566401|DTXSID40163042|(Discontinued, see A662477)'|STR08750|MFC

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Aniline-d7 | 14545-23-4 | (2H7)Aniline | Benzen-2,3,4,5,6-d5-amine-d2 | N,N,2,3,4,5,6-heptadeuterioaniline | ((2)H?)ANILINE | benzenamine-d7 | EINECS 238-580-4 | (?H?)aniline | Aniline-d7, 98 atom % D | SCHEMBL12566401 | DTXSID40163042 | (Discontinued, see A662477)' | STR08750 | MFC

Especificaciones y pureza

≥98 atom% D

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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Pureza

≥98 atom% D

Nombres e identificadores

• Pubchem Sid: 528775373
• Sonrisas canónicas: C1=CC=C(C=C1)N
• IUPAC Name: N,N,2,3,4,5,6-heptadeuterioaniline
• InChIKey: PAYRUJLWNCNPSJ-LQHBDRBESA-N
• INCHI: 1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5D/hD2
• Isómeros SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])N([2H])[2H])[2H])[2H]
• WGK Alemania: 2
• Peso molecular: 100.17
• Reaxy-Rn: 605631
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605631&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Hygroscopic
• Rotación específica [α]: n20/D 1.5824
• Punto de inflamación (°F): 158 °F
• Punto de inflamación (°C): 70 °C
• Punto de ebullición (°C): 184 °C
• Punto de fusión (°C): -6 °C
• Peso molecular: 100.170 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.102 Da
• Monoisotopic Mass: 100.102 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• Isotope Atom Count: 7
• 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