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N,N-Dimethyl-5-nitropyridin-2-amine - 97%, high purity , CAS No.2554-75-8
Basic Description
Synonyms
N,N-Dimethyl-5-nitropyridin-2-amine | 2554-75-8 | 2-(Dimethylamino)-5-nitropyridine | 2-Dimethylamino-5-nitropyridine | Q6G58JQT6X | MFCD00023450 | NSC-93901 | 2-Pyridinamine, N,N-dimethyl-5-nitro- | 2-Dimethylamino-5-nitro pyridine | NSC93901 | EINECS 219-864-7 | N,N-Dimethyl
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Dialkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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
N,N-dimethyl-5-nitropyridin-2-amine
INCHI
InChI=1S/C7H9N3O2/c1-9(2)7-4-3-6(5-8-7)10(11)12/h3-5H,1-2H3
InChIKey
UCAOGXRUJFKQAP-UHFFFAOYSA-N
Smiles
CN(C)C1=NC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
CN(C)C1=NC=C(C=C1)[N+](=O)[O-]
Molecular Weight
167.2
Reaxy-Rn
130700
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=130700&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
167.170 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
167.069 Da
Monoisotopic Mass
167.069 Da
Topological Polar Surface Area
62.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
167.000
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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