Methyl4-(amino(cyclopropyl)methyl)benzoate - ≥95% , CAS No.1196118-94-1

CAS: 1196118-94-1 Cat. No.: M670125 Peso molecular: 205.25

GRADE & PURITY ≥95%

Synonyms

SCHEMBL371247 | Methyl4-(amino(cyclopropyl)methyl)benzoate | Methyl 4-(amino(cyclopropyl)methyl)benzoate

Storage

Room temperature

Specifications

Sinónimos

SCHEMBL371247 | Methyl4-(amino(cyclopropyl)methyl)benzoate | Methyl 4-(amino(cyclopropyl)methyl)benzoate

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Propiedades del producto

• ALogP: 2

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1=CC=C(C=C1)C(C2CC2)N
• IUPAC Name: methyl 4-[amino(cyclopropyl)methyl]benzoate
• InChIKey: XYRHXEYPJZRFMU-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO2/c1-15-12(14)10-6-4-9(5-7-10)11(13)8-2-3-8/h4-8,11H,2-3,13H2,1H3
• Isómeros SMILES: COC(=O)C1=CC=C(C=C1)C(C2CC2)N
• Peso molecular: 205.25
• Reaxy-Rn: 21016849
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21016849&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Aralkylamines Methyl esters Amino acids and derivatives Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Aralkylamine - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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