N-Allylphthalimide - ≥98%(GC) , CAS No.5428-09-1

CAS: 5428-09-1 Cat. No.: N158876 분자식: C₁₁H₉NO₂ 분자량: 187.2 EC 번호: 622-161-1

GRADE & PURITY ≥98%(GC)

Synonyms

2-(prop-2-en-1-yl)-1H-isoindole-1,3(2H)-dione | J-522970 | SY055438 | SCHEMBL170913 | 1H-Isoindole-1,3(2H)-dione, 2-(2-propen-1-yl)- | 2-(2-propenyl)-1H-Isoindole-1,3(2H)-dione | FT-0691527 | 2-prop-2-enylisoindole-1,3-dione | EN300-109169 | AKOS001577755

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

2-(prop-2-en-1-yl)-1H-isoindole-1,3(2H)-dione | J-522970 | SY055438 | SCHEMBL170913 | 1H-Isoindole-1,3(2H)-dione, 2-(2-propen-1-yl)- | 2-(2-propenyl)-1H-Isoindole-1,3(2H)-dione | FT-0691527 | 2-prop-2-enylisoindole-1,3-dione | EN300-109169 | AKOS001577755

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488188744

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188744

정식 스마일

C=CCN1C(=O)C2=CC=CC=C2C1=O

IUPAC Name

2-prop-2-enylisoindole-1,3-dione

InChIKey

MHHGQWMCVNQHLG-UHFFFAOYSA-N

INCHI

1S/C11H9NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-6H,1,7H2

이성체 SMILES

C=CCN1C(=O)C2=CC=CC=C2C1=O

분자량

187.2

Reaxy-Rn

143124

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143124&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzenoids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

• 끓는점(°C): 295°C(lit.)
• 녹는점(°C): 70 °C
• 분자량: 187.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.063 Da
• Monoisotopic Mass: 187.063 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 261.000
• 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