Ethanol - UPSS grade, Single metal impurity ≤ 0.1ppb , CAS No.64-17-5

CAS: 64-17-5 Cat. No.: E1523818 분자식: CH₃CH₂OH 분자량: 46.07 Beilstein Registry Number: 1718733 EC 번호: 200-578-6

GRADE & PURITY UPSS grade, Single metal impurity ≤ 0.1ppb

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

사양 및 순도

UPSS grade, Single metal impurity ≤ 0.1ppb

보관 조건

Room temperature,Desiccated

배송

FedEx DG Service

등급

UPSS 등급

이름과 식별자

• 정식 스마일: CCO
• IUPAC Name: ethanol
• InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
• INCHI: 1S/C2H6O/c1-2-3/h3H,2H2,1H3
• 이성체 SMILES: CCO
• WGK 독일: 1
• UN 번호: 1170
• 포장 그룹: II
• 분자량: 46.07
• Beilstein: 1718733

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• External Descriptors: a primary alcohol - a short-chain alcohol

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)

KCNJ6 Tchem G protein-activated inward rectifier potassium channel 2 (0 Activities)

Discover Target: KCNJ6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRPV6 Tchem Transient receptor potential cation channel subfamily V member 6 (0 Activities)

Discover Target: TRPV6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (0 Activities)

Discover Target: HTR3A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNJ3 Tchem G protein-activated inward rectifier potassium channel 1 (0 Activities)

Discover Target: KCNJ3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNJ5 Tchem G protein-activated inward rectifier potassium channel 4 (0 Activities)

Discover Target: KCNJ5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 감도: Hygroscopic
• 굴절률: 1.3600 (lit.)
• 발화점(°C): 13°C
• 끓는점(°C): 78.15°C
• 녹는점(°C): -114.1°C
• 분자량: 46.070 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 46.0419 Da
• Monoisotopic Mass: 46.0419 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 2.800
• 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