Hexanamide - ≥98% , CAS No.628-02-4

CAS: 628-02-4 Cat. No.: H157108 분자식: C₆H₁₃NO 분자량: 115.18 Beilstein Registry Number: 2(4)929 EC 번호: 211-024-8

등급 & 순도 ≥98%

Synonyms

Tox21_111111_1 | Q5548698 | D89187 | NSC8437 | NSC-8437 | HSDB 5509 | Tox21_111111 | Capronamide | Hexanoamide, 98% | hexanoic acid amide | BRN 1741923 | DTXCID20696 | n-Capronamide | n-Hexanamide | R0YX4OJ6TW | hexaneamide | InChI=1/C6H13NO/c1-2-3-4-5-6(

Storage

Room temperature

Shipped In

Normal

사양

동의어

Tox21_111111_1 | Q5548698 | D89187 | NSC8437 | NSC-8437 | HSDB 5509 | Tox21_111111 | Capronamide | Hexanoamide, 98% | hexanoic acid amide | BRN 1741923 | DTXCID20696 | n-Capronamide | n-Hexanamide | R0YX4OJ6TW | hexaneamide | InChI=1/C6H13NO/c1-2-3-4-5-6(

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181625

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181625

정식 스마일

CCCCCC(=O)N

IUPAC Name

hexanamide

InChIKey

ALBYIUDWACNRRB-UHFFFAOYSA-N

INCHI

1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)

이성체 SMILES

CCCCCC(=O)N

WGK 독일

3

RTECS

MN7875000

분자량

115.18

Beilstein

2(4)929

Reaxy-Rn

1741923

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741923&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 Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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: a small molecule

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

관련 대상(인간)

DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)

Discover Target: DGAT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility in Methanol almost transparency
• 녹는점(°C): 98-101℃
• 분자량: 115.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.900
• 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