Methyl 1-(Triphenylmethyl)-2-Aziridinecarboxylate - ≥97% , CAS No.76357-18-1

CAS: 76357-18-1 Cat. No.: M299142 Peso molecular: 343.41834 Número EC: 677-546-7

GRADE & PURITY ≥97%

Synonyms

methyl 1-tritylaziridine-2-carboxylate|76357-18-1|Methyl 1-(Triphenylmethyl)-2-aziridinecarboxylate|MFCD09991705|Methyl 1-Trityl-2-aziridinecarboxylate|MFCD01863736|MFCD09878842|NSC157268|METHYL(R)-1-TRITYL-2-AZIRIDINECARBOXYLATE|1-Tritylaziridine-2-carbo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

methyl 1-tritylaziridine-2-carboxylate | 76357-18-1 | Methyl 1-(Triphenylmethyl)-2-aziridinecarboxylate | MFCD09991705 | Methyl 1-Trityl-2-aziridinecarboxylate | MFCD01863736 | MFCD09878842 | NSC157268 | METHYL(R)-1-TRITYL-2-AZIRIDINECARBOXYLATE | 1-Tritylaziridine-2-carbo

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488189318
• Sonrisas canónicas: COC(=O)C1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: methyl 1-tritylaziridine-2-carboxylate
• InChIKey: QGSITPKXYQEFIR-UHFFFAOYSA-N
• INCHI: 1S/C23H21NO2/c1-26-22(25)21-17-24(21)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
• Isómeros SMILES: COC(=O)C1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• Peso molecular: 343.41834
• Reaxy-Rn: 92247
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=92247&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Alpha amino acid esters Aralkylamines Benzene and substituted derivatives Aziridinecarboxylic acids Methyl esters Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Alpha-amino acid ester - Alpha-amino acid or derivatives - Aralkylamine - Aziridinecarboxylic acid - Monocyclic benzene moiety - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Aziridine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 343.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 343.157 Da
• Monoisotopic Mass: 343.157 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 427.000
• 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