Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
분류	Naphthalenes
Subclass	Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenecarboxamides
Alternative Parents	Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthalenecarboxamide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
설명	This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D 구조

관련 대상(인간)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

인증서(CoA, COO, BSE/TSE 및 분석 차트)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	날짜	항목
H2104107	Certificate of Analysis	May 12, 2025	B301229
H2104106	Certificate of Analysis	May 12, 2025	B301229

화학 및 물리적 특성

끓는점(°C)	302-304°/725mm
녹는점(°C)	146-148
분자량	186.210 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	186.079 Da
Monoisotopic Mass	186.079 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	217.000
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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리뷰

정식 스마일	C1=CC=C2C=C(C=CC2=C1)C(=O)NN
IUPAC Name	naphthalene-2-carbohydrazide
InChIKey	RARLPRMZJNIQGU-UHFFFAOYSA-N
INCHI	1S/C11H10N2O/c12-13-11(14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,12H2,(H,13,14)
이성체 SMILES	C1=CC=C2C=C(C=CC2=C1)C(=O)NN
분자량	186.22
Reaxy-Rn	1950982
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1950982&ln=

2-Naphthoic hydrazide - ≥95% , CAS No.39627-84-4

Specifications