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7-Nitro-1,2,3,4-tetrahydro-naphthalen-2-ylamine hydrochloride , CAS No.175871-06-4
Basic Description
Synonyms
175871-06-4 | 7-NITRO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE | 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride | 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride | 2-Naphthalenamine, 1,2,3,4-tetrahydro-7-nitro-, hydrochloride (
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
Tetralins Nitroaromatic compounds Aralkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-nitronaphthalene - Tetralin - Nitroaromatic compound - Aralkylamine - 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 - Primary aliphatic amine - Organic oxide - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Hydrochloride - Organic cation - 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.
Names and Identifiers
IUPAC Name
7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
INCHI
InChI=1S/C10H12N2O2.ClH/c11-9-3-1-7-2-4-10(12(13)14)6-8(7)5-9;/h2,4,6,9H,1,3,5,11H2;1H
InChIKey
DAYRGFHXWCSBQP-UHFFFAOYSA-N
Smiles
C1CC2=C(CC1N)C=C(C=C2)[N+](=O)[O-].Cl
Isomeric SMILES
C1CC2=C(CC1N)C=C(C=C2)[N+](=O)[O-].Cl
Molecular Weight
228.68
Reaxy-Rn
3737176
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3737176&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
228.670 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
228.067 Da
Monoisotopic Mass
228.067 Da
Topological Polar Surface Area
71.800 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
227.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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