NaphtholAS - ≥97% , CAS No.92-77-3

CAS: 92-77-3 Cat. No.: N104918 분자식: C₁₇H₁₃NO₂ 분자량: 263.29 Beilstein Registry Number: 12505 EC 번호: 202-188-1

GRADE & PURITY ≥97%

Synonyms

AKOS003381951 | EC 202-188-1 | NSC45173 | NSC-45173 | FT-0652942 | AZOIC COUPLING COMPONENT 2 (NAPHTOL AS) | Azonaphthol A | Brenthol AS | Hiltonphthol AS | 3-Hydroxy-2-naphthanilide | C.I. AZO COUPLING COMP. 2 | Celcot RF | NSC 45173 | C.I. Azoic Couplin

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

AKOS003381951 | EC 202-188-1 | NSC45173 | NSC-45173 | FT-0652942 | AZOIC COUPLING COMPONENT 2 (NAPHTOL AS) | Azonaphthol A | Brenthol AS | Hiltonphthol AS | 3-Hydroxy-2-naphthanilide | C.I. AZO COUPLING COMP. 2 | Celcot RF | NSC 45173 | C.I. Azoic Couplin

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

488183833

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183833

정식 스마일

C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O

IUPAC Name

3-hydroxy-N-phenylnaphthalene-2-carboxamide

InChIKey

JFGQHAHJWJBOPD-UHFFFAOYSA-N

INCHI

1S/C17H13NO2/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14/h1-11,19H,(H,18,20)

이성체 SMILES

C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O

UN 번호

3077

분자량

263.29

Beilstein

12505

Reaxy-Rn

1842678

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1842678&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives
        • Level5 Naphthalenecarboxamides
          • Level6 Naphthalene-2-carboxanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Naphthalenecarboxamides
• Direct Parent: Naphthalene-2-carboxanilides
• Alternative Parents: Aromatic anilides Naphthols and derivatives Salicylic acid and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene-2-carboxanilide - Aromatic anilide - 2-naphthol - Salicylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline.
• 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.

DOI: 10.1186/s13321-016-0174-y

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 243°C
• 분자량: 263.290 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.095 Da
• Monoisotopic Mass: 263.095 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 338.000
• 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