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2-(2-Amino-4-nitroanilino)ethanol - ≥99%, high purity , CAS No.56932-44-6
Basic Description
Synonyms
A831238 | EINECS 260-450-0 | HC Yellow no. 5 | EN300-20876 | ETHANOL, 2-(2-AMINO-4-NITROANILINO)- | W-105498 | 2-Amino-4-nitro-N-(2-hydroxyethyl)aniline | Q27280561 | 2-((2-Amino-4-nitrophenyl)amino)ethanol | N'-(2-hydroxyethyl)-4-nitro-o-phenylenediamine
Specifications & Purity
≥99%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Phenylalkylamines Nitroaromatic compounds Aniline and substituted anilines Secondary alkylarylamines 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Secondary aliphatic/aromatic amine - C-nitro compound - Organic nitro compound - 1,2-aminoalcohol - Alkanolamine - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Amine - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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.
Names and Identifiers
IUPAC Name
2-(2-amino-4-nitroanilino)ethanol
INCHI
InChI=1S/C8H11N3O3/c9-7-5-6(11(13)14)1-2-8(7)10-3-4-12/h1-2,5,10,12H,3-4,9H2
InChIKey
OWMQBFHMJVSJSA-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1[N+](=O)[O-])N)NCCO
Isomeric SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N)NCCO
Molecular Weight
197.194
Reaxy-Rn
2104079
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2104079&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.190 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
197.08 Da
Monoisotopic Mass
197.08 Da
Topological Polar Surface Area
104.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
195.000
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
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