Methyl Propargyl Ether - ≥98%(GC) , CAS No.627-41-8

CAS: 627-41-8 Cat. No.: M157951 분자식: C₄H₆O 분자량: 70.09 Beilstein Registry Number: 878166 EC 번호: 210-998-1

GRADE & PURITY ≥98%(GC)

Synonyms

3-Methoxy-1-propyne | Methyl propargyl ether, >=97% | methyl propargylether | HC.$.CCH2OCH3 | Methyl propargyl ether | AKOS015837691 | FT-0628337 | AT19953 | Methyl 2-propynyl ether;3-Methoxypropyne;3-Methoxyprop-1-yne | 1-Propyne, 3-methoxy- | InChI=1/C4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Methyl propargyl ether was used in the synthesis of [Ru3(μ3-κ(2)-HNNMe2)(μ3-κ(2)-MeOCH2CCH2)(μ-CO)2(CO)6]

Specifications

동의어

3-Methoxy-1-propyne | Methyl propargyl ether, >=97% | methyl propargylether | HC.$.CCH2OCH3 | Methyl propargyl ether | AKOS015837691 | FT-0628337 | AT19953 | Methyl 2-propynyl ether;3-Methoxypropyne;3-Methoxyprop-1-yne | 1-Propyne, 3-methoxy- | InChI=1/C4

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 504754382
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754382
• 정식 스마일: COCC#C
• IUPAC Name: 3-methoxyprop-1-yne
• InChIKey: YACFFSVYSPMSGS-UHFFFAOYSA-N
• INCHI: 1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3
• 이성체 SMILES: COCC#C
• WGK 독일: 3
• 분자량: 70.09
• Beilstein: 878166
• Reaxy-Rn: 878166
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878166&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

관련 대상(인간)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 감도: Air Sensitive
• 굴절률: 1.4
• 발화점(°F): -.4 °F
• 발화점(°C): -18°C
• 끓는점(°C): 61-62 °C
• 분자량: 70.090 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 70.0419 Da
• Monoisotopic Mass: 70.0419 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 47.900
• 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