1-Allylimidazole - ≥97%(GC) , CAS No.31410-01-2

CAS: 31410-01-2 Cat. No.: A151399 분자식: C₆H₈N₂ 분자량: 108.14 Beilstein Registry Number: 23(5)4,266 EC 번호: 250-618-1

GRADE & PURITY ≥97%(GC)

Synonyms

1-prop-2-enylimidazole | 1-Allyl-1H-imidazole # | BBL027934 | W-106905 | Z104477560 | EINECS 250-618-1 | N-Allylimidazole | InChI=1/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H | UNII-M6Y3FS79AQ | 1-allyl imidazole | DTXSID30185339 | 6-Methyl-3,4-dihydro-1,2,

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

1-prop-2-enylimidazole | 1-Allyl-1H-imidazole # | BBL027934 | W-106905 | Z104477560 | EINECS 250-618-1 | N-Allylimidazole | InChI=1/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H | UNII-M6Y3FS79AQ | 1-allyl imidazole | DTXSID30185339 | 6-Methyl-3,4-dihydro-1,2,

사양 및 순도

≥97%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

488183261

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183261

정식 스마일

C=CCN1C=CN=C1

IUPAC Name

1-prop-2-enylimidazole

InChIKey

XLXCHZCQTCBUOX-UHFFFAOYSA-N

INCHI

1S/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H2

이성체 SMILES

C=CCN1C=CN=C1

분자량

108.14

Beilstein

23(5)4,266

Reaxy-Rn

605953

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605953&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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

• 용해성: It is soluble in water.
• 굴절률: 1.505
• 발화점(°F): 213°F
• 발화점(°C): 101°C
• 끓는점(°C): 212-213℃
• 분자량: 108.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.600
• 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