N-(3,4-Dichlorophenyl)pivalamide - ≥95% , CAS No.7160-22-7

CAS: 7160-22-7 Cat. No.: N695817 분자식: C₁₁H₁₃Cl₂NO 분자량: 246.13 EC 번호: 659-313-1 PubChem CID: 138949

등급 & 순도 ≥95%

Synonyms

2,2-Dimethyl-N-(3,4-dichlorophenyl)propanamide | N-(3,4-dichlorophenyl)2,2-dimethyl-propionamide

Storage

Room temperature

Shipped In

Normal

사양

동의어

2,2-Dimethyl-N-(3,4-dichlorophenyl)propanamide | N-(3,4-dichlorophenyl)2,2-dimethyl-propionamide

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

제품 특성

ALogP

3.9

이름과 식별자

Pubchem Sid

528765792

정식 스마일

CC(C)(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

IUPAC Name

N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide

InChIKey

WMFDYXPRRHDSQS-UHFFFAOYSA-N

INCHI

1S/C11H13Cl2NO/c1-11(2,3)10(15)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15)

이성체 SMILES

CC(C)(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

PubChem CID

138949

분자량

246.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Dichlorobenzenes Aryl chlorides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - 1,2-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

• 분자량: 246.130 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.037 Da
• Monoisotopic Mass: 245.037 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• 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