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2-(5-NITRO-2-PYRIDYLAMINO)-ETHANOL , CAS No.25948-12-3
Discover 2-(5-NITRO-2-PYRIDYLAMINO)-ETHANOL by Aladdin Scientific in for only $100.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-((5-Nitropyridin-2-yl)amino)ethanol | 25948-12-3 | 2-[(5-nitropyridin-2-yl)amino]ethanol | Ethanol, 2-[(5-nitro-2-pyridinyl)amino]- | 2-((5-Nitro-2-pyridyl)amino)ethanol | 2-[(5-nitro-2-pyridyl)amino]ethanol | NSC96622 | EINECS 247-358-6 | 2-[(5-Nitro-2-pyridinyl)amino
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
Secondary alkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aminopyridine - Secondary aliphatic/aromatic amine - Pyridine - Imidolactam - Heteroaromatic compound - Alkanolamine - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Alcohol - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen 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
2-[(5-nitropyridin-2-yl)amino]ethanol
INCHI
InChI=1S/C7H9N3O3/c11-4-3-8-7-2-1-6(5-9-7)10(12)13/h1-2,5,11H,3-4H2,(H,8,9)
InChIKey
STGZMDMCSWZWHU-UHFFFAOYSA-N
Smiles
C1=CC(=NC=C1[N+](=O)[O-])NCCO
Isomeric SMILES
C1=CC(=NC=C1[N+](=O)[O-])NCCO
Molecular Weight
183.168
Reaxy-Rn
150858
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150858&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
183.160 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
183.064 Da
Monoisotopic Mass
183.064 Da
Topological Polar Surface Area
91.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
171.000
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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