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Aniline in methanol - analytical standard ,in methanol,, high purity , CAS No.62-53-3
Basic Description
Synonyms
ANILINE | Benzenamine | Phenylamine | 62-53-3 | Aminobenzene | Aminophen | Arylamine | Kyanol | Anilin | Cyanol | Benzeneamine | Krystallin | Benzidam | Anyvim | Anilina | Huile D'aniline | C.I. Oxidation Base 1 | Rcra waste number U012 | CI Oxidation Base 1 | Caswell No. 051C | Anilinum | C.I. 7
Specifications & Purity
analytical standard, in methanol,
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Aniline and substituted anilines
Alternative Parents
Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors
an arylamine
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
aniline
INCHI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)N
Isomeric SMILES
C1=CC=C(C=C1)N
WGK Germany
1
UN Number
1547
Packing Group
II
Molecular Weight
93.13
Beilstein
605631
Reaxy-Rn
605631
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605631&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.5863
Flash Point(°C)
76℃
Boil Point(°C)
184-186°C
Melt Point(°C)
-6°C
Molecular Weight
93.130 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
93.0578 Da
Monoisotopic Mass
93.0578 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
46.100
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
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G2203030