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

CAS: 14545-23-4 Cat. No.: A133014 Formula: C₆D₅ND₂ Peso molecolare: 100.17 Numero 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

Sinonimi

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

Specifiche e purezza

≥98 atom% D

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98 atom% D

Nomi e identificatori

• Pubchem Sid: 528775373
• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])N([2H])[2H])[2H])[2H]
• WGK Germania: 2
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Rotazione specifica [α]: n20/D 1.5824
• Punto di infiammabilità (°F): 158 °F
• Punto di infiammabilità (°C): 70 °C
• Punto di ebollizione (°C): 184 °C
• Punto di fusione (°C): -6 °C
• Peso molecolare: 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