(R)-Methyl 4-(1-aminoethyl)benzoate - ≥98%,≥98%(ee) , CAS No.912342-10-0

CAS: 912342-10-0 Cat. No.: R188058 Peso molecular: 179.2 PubChem CID: 17751897

Synonyms

(R)-Methyl 4-(1-aminoethyl)benzoate | Methyl 4-[(1R)-1-aminoethyl]benzoate | A860572 | MFCD06762071 | AKOS016842987 | EN300-316929 | XSYGLHLLQZGWPT-SSDOTTSWSA-N | SCHEMBL2294346 | 4-[(1R)-1-Aminoethyl]benzoic acid methyl ester | 4-[(1R)-1-Aminoethyl]-benz

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

(R)-Methyl 4-(1-aminoethyl)benzoate | Methyl 4-[(1R)-1-aminoethyl]benzoate | A860572 | MFCD06762071 | AKOS016842987 | EN300-316929 | XSYGLHLLQZGWPT-SSDOTTSWSA-N | SCHEMBL2294346 | 4-[(1R)-1-Aminoethyl]benzoic acid methyl ester | 4-[(1R)-1-Aminoethyl]-benz

Especificaciones y pureza

≥98%, ≥98%(ee)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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Nombres e identificadores

• Pubchem Sid: 488199548
• Sonrisas canónicas: CC(C1=CC=C(C=C1)C(=O)OC)N
• IUPAC Name: methyl 4-[(1R)-1-aminoethyl]benzoate
• InChIKey: XSYGLHLLQZGWPT-SSDOTTSWSA-N
• INCHI: 1S/C10H13NO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,11H2,1-2H3/t7-/m1/s1
• Isómeros SMILES: C[C@H](C1=CC=C(C=C1)C(=O)OC)N
• PubChem CID: 17751897
• Peso molecular: 179.2

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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 179.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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