Anilin-d₇ - ≥98 Atom% D , CAS No.14545-23-4

CAS: 14545-23-4 Cat. No.: A133014 Summenformel: C₆D₅ND₂ Molekulargewicht: 100.17 EG-Nummer: 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?)anilin|Anilin-d7, 98 Atom-% D|SCHEMBL12566401|DTXSID40163042|(Ausgelaufen, siehe A662477)'|STR08750|MFC

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Specifications

Synonyme

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?)anilin | Anilin-d7, 98 Atom-% D | SCHEMBL12566401 | DTXSID40163042 | (Ausgelaufen, siehe A662477)' | STR08750 | MFC

Spezifikationen & Reinheit

≥98 Atom% D

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥98 atom% D

Namen und Kennungen

• Pubchem Sid: 528775373
• Kanonisches Lächeln: 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
• Isomere SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])N([2H])[2H])[2H])[2H]
• WGK Deutschland: 2
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Spezifische Drehung [α]: n20/D 1.5824
• Flammpunkt (°F): 158 °F
• Flammpunkt (°C): 70 °C
• Siedepunkt (°C): 184 °C
• Schmelzpunkt (°C): -6 °C
• Molekulargewicht: 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