2-hydroxy-N-methylbenzamide - ≥98% , CAS No.1862-88-0

CAS: 1862-88-0 Cat. No.: H343180 분자식: C₈H₉NO₂ 분자량: 151.16 EC 번호: 833-635-4

GRADE & PURITY ≥98%

Synonyms

STK802055 | 2-Hydroxy-N-methylbenzamide | 2-Hydroxy-N-methyl-benzamide | AC1616 | Salicylamide, N-methyl- | FT-0633882 | SY034205 | 2-hydroxy-N-methyl benzamide | J-011953 | Ammonium citrate dibasic | 2-Hydroxy-N-methylbenzamide # | BRN 1100579 | SCHEMBL1

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

STK802055 | 2-Hydroxy-N-methylbenzamide | 2-Hydroxy-N-methyl-benzamide | AC1616 | Salicylamide, N-methyl- | FT-0633882 | SY034205 | 2-hydroxy-N-methyl benzamide | J-011953 | Ammonium citrate dibasic | 2-Hydroxy-N-methylbenzamide # | BRN 1100579 | SCHEMBL1

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488184952

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184952

정식 스마일

CNC(=O)C1=CC=CC=C1O

IUPAC Name

2-hydroxy-N-methylbenzamide

InChIKey

BCKXMQIYWWTZDP-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-9-8(11)6-4-2-3-5-7(6)10/h2-5,10H,1H3,(H,9,11)

이성체 SMILES

CNC(=O)C1=CC=CC=C1O

분자량

151.16

Reaxy-Rn

1100579

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylamides
• Alternative Parents: Benzamides Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Salicylamide - Benzamide - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
• 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

화학 및 물리적 특성

• 끓는점(°C): ~335.8° C at 760 mmHg (Predicted)
• 녹는점(°C): 119.92° C (Predicted)
• 분자량: 151.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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