3-Methyl-1-hexene - ≥99% , CAS No.3404-61-3

CAS: 3404-61-3 Cat. No.: M158212 분자식: C₇H₁₄ 분자량: 98.19 Beilstein Registry Number: 1(4)865 EC 번호: 222-283-1

GRADE & PURITY ≥99%

Synonyms

3-METHYL-1-HEXENE | 1-Hexene, 3-methyl- | DTXSID10871021 | InChI=1/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H | 3-methyl-hex-1-ene | 3-Methylhex-1-ene | NSC 73925 | NSC73925 | NSC-73925 | 9VT7I274NM | EINECS 222-283-1 | MFCD00009407 | FT-0634837 | 3-Methyl-1

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

3-METHYL-1-HEXENE | 1-Hexene, 3-methyl- | DTXSID10871021 | InChI=1/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H | 3-methyl-hex-1-ene | 3-Methylhex-1-ene | NSC 73925 | NSC73925 | NSC-73925 | 9VT7I274NM | EINECS 222-283-1 | MFCD00009407 | FT-0634837 | 3-Methyl-1

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

508809021

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809021

정식 스마일

CCCC(C)C=C

IUPAC Name

3-methylhex-1-ene

InChIKey

RITONZMLZWYPHW-UHFFFAOYSA-N

INCHI

1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3

이성체 SMILES

CCCC(C)C=C

UN 번호

3295

포장 그룹

II

분자량

98.19

Beilstein

1(4)865

Reaxy-Rn

1733465

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733465&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Unsaturated hydrocarbons
• Subclass: Unsaturated aliphatic hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Unsaturated aliphatic hydrocarbons
• Alternative Parents: Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
• 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

• 굴절률: 1.39
• 발화점(°C): -18°C(lit.)
• 끓는점(°C): 84°C(lit.)
• 분자량: 98.190 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 98.1096 Da
• Monoisotopic Mass: 98.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1