6-브로모헥산아미드 - ≥98% , CAS No.57817-55-7

CAS: 57817-55-7 Cat. No.: B185341 분자식: C₆H₁₂BrNO 분자량: 194.1 EC 번호: 611-582-6

등급 & 순도 ≥98%

Synonyms

6-Bromohexaneamide | FS-4138 | 6-bromanylhexanamide | 4-bromobutyl acetamide | 6-Bromohexanamide, AldrichCPR | 6-Bromo-hexanoic acid amide | BP-13217 | FT-0640488 | A831622 | EN300-206183 | AKOS006273647 | SY103908 | NSC277296 | NSC-277296 | MFCD00236597

Storage

실내 온도

Shipped In

보통

사양

동의어

6-Bromohexaneamide | FS-4138 | 6-bromanylhexanamide | 4-bromobutyl acetamide | 6-Bromohexanamide, AldrichCPR | 6-Bromo-hexanoic acid amide | BP-13217 | FT-0640488 | A831622 | EN300-206183 | AKOS006273647 | SY103908 | NSC277296 | NSC-277296 | MFCD00236597

사양 및 순도

≥98%

보관 조건

실내 온도

배송

보통

순수함

≥98%

이름과 식별자

Pubchem Sid

488189495

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189495

정식 스마일

C(CCC(=O)N)CCBr

IUPAC Name

6-bromohexanamide

InChIKey

LGCGXHIRLZORQA-UHFFFAOYSA-N

INCHI

1S/C6H12BrNO/c7-5-3-1-2-4-6(8)9/h1-5H2,(H2,8,9)

이성체 SMILES

C(CCC(=O)N)CCBr

분자량

194.1

Reaxy-Rn

1749741

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty amides
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty amide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
• 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: 194.070 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 193.01 Da
• Monoisotopic Mass: 193.01 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.100
• 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