N-(Diphenylmethylene)glycine methyl ester - ≥98% , CAS No.81167-39-7

CAS: 81167-39-7 Cat. No.: N186716 Peso molecular: 253.3 Número EC: 695-130-3

GRADE & PURITY ≥98%

Synonyms

(Benzhydrylideneamino) acetic acid methyl ester | FT-0657408 | PD197006 | FD1094 | 2-Aminoacetic acid, N-diphenylmethylene-, methyl ester | GS-4225 | Methyl2-((diphenylmethylene)amino)acetate | MFCD06661218 | N-(4-(2-(cyclopropanecarboxamido)pyridin-4-ylo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(Benzhydrylideneamino) acetic acid methyl ester | FT-0657408 | PD197006 | FD1094 | 2-Aminoacetic acid, N-diphenylmethylene-, methyl ester | GS-4225 | Methyl2-((diphenylmethylene)amino)acetate | MFCD06661218 | N-(4-(2-(cyclopropanecarboxamido)pyridin-4-ylo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: methyl 2-(benzhydrylideneamino)acetate
• InChIKey: PQTOLHHWLUCKSB-UHFFFAOYSA-N
• INCHI: 1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
• Isómeros SMILES: COC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2
• Peso molecular: 253.3
• Reaxy-Rn: 3612834
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3612834&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Alpha amino acid esters Secondary ketimines Methyl esters Azomethines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Diphenylmethane - Alpha-amino acid or derivatives - Azomethine - Secondary ketimine - Methyl ester - Carboxylic acid ester - Ketimine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Imine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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

Propiedades químicas y físicas

• Peso molecular: 253.290 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 253.11 Da
• Monoisotopic Mass: 253.11 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 293.000
• 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