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4-Nitro-1-naphthylamine - 97%, high purity , CAS No.776-34-1
Basic Description
Synonyms
BCP04287 | AI3-62662 | FT-0607331 | 1-Naphthalenamine, 4-nitro- | BDBM50425019 | STR04258 | STK803079 | 4-Nitro-1-naphthamine | EN300-99795 | 4-Nitro-alpha-naphthylamine | 4-Nitro-1-naphthylamine, 97% | 1,4-Nitronaphthylamine | 4-Nitro-1-naphthalenamine |
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Nitronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitronaphthalenes
Alternative Parents
Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-nitronaphthalene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488181782
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181782
IUPAC Name
4-nitronaphthalen-1-amine
INCHI
InChI=1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2
InChIKey
BVPJPRYNQHAOPQ-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])N
Isomeric SMILES
C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])N
WGK Germany
3
RTECS
QM4370000
Molecular Weight
188.18
Beilstein
2211897
Reaxy-Rn
2211897
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211897&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
192.0 to 196.0 °C
Molecular Weight
188.180 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
188.059 Da
Monoisotopic Mass
188.059 Da
Topological Polar Surface Area
71.800 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
227.000
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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