Win 18446 - ≥95% , CAS No.1477-57-2

CAS: 1477-57-2 Cat. No.: N768537 분자식: C₁₂H₂₀Cl₄N₂O₂ 분자량: 366.11 EC 번호: 216-033-0 PubChem CID: 15134

GRADE & PURITY ≥95%

Synonyms

N,N'-(Octane-1,8-diyl)bis(2,2-dichloroacetamide) | N,N'- Octamethylene dichloroacetamide

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

N,N'-(Octane-1,8-diyl)bis(2,2-dichloroacetamide) | N,N'- Octamethylene dichloroacetamide

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%

이름과 식별자

• Pubchem Sid: 528768485
• 정식 스마일: C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl
• IUPAC Name: 2,2-dichloro-N-[8-[(2,2-dichloroacetyl)amino]octyl]acetamide
• InChIKey: FAOMZVDZARKPFJ-UHFFFAOYSA-N
• INCHI: 1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)
• 이성체 SMILES: C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl
• WGK 독일: 3
• RTECS: AC6800000
• PubChem CID: 15134
• 분자량: 366.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• 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: 366.100 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 366.025 Da
• Monoisotopic Mass: 364.028 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 261.000
• 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