(1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol - ≥97% , CAS No.28143-91-1

CAS: 28143-91-1 Cat. No.: S353997 Peso molecular: 167.2 Número EC: 248-867-6

GRADE & PURITY ≥97%

Synonyms

(1S,2S)-2-amino-1-phenyl-propane-1,3-diol | (1s,2s)-2-amino-1-phenylpropane-1,3-diol | AS-30546 | MFCD00004503 | (1R,3R,4S,5R)-1,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohexane-1-carboxylic acid | AKOS015854215 | (1s, 2s)-(+)

Storage

Room temperature

Shipped In

Normal

Descripción general

(1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol is an auxiliary for the preparation of chiral 2-oxazolines from carboxylic acid derivatives.

Specifications

Sinónimos

(1S, 2S)-2-amino-1-phenyl-propane-1, 3-diol | (1s, 2s)-2-amino-1-phenylpropane-1, 3-diol | AS-30546 | MFCD00004503 | (1R, 3R, 4S, 5R)-1, 3-bis{[(2E)-3-(3, 4-dihydroxyphenyl)prop-2-enoyl]oxy}-4, 5-dihydroxycyclohexane-1-carboxylic acid | AKOS015854215 | (1s, 2s)-(+)

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(C(CO)N)O
• IUPAC Name: (1S,2S)-2-amino-1-phenylpropane-1,3-diol
• InChIKey: JUCGVCVPNPBJIG-IUCAKERBSA-N
• INCHI: 1S/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)[C@@H]([C@H](CO)N)O
• Peso molecular: 167.2
• Reaxy-Rn: 1283429
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1283429&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 109-113° C (lit.)
• Peso molecular: 167.200 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.095 Da
• Monoisotopic Mass: 167.095 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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