D-Phenylalaninol - ≥98% , CAS No.5267-64-1

CAS: 5267-64-1 Cat. No.: P100530 Fórmula: C₉H₁₃NO Peso molecular: 151.21 Beilstein Registry Number: 2208239 Número EC: 226-086-1

GRADE & PURITY ≥98%

Synonyms

D(+)-Phenylalaninol;(R)-(+)-2-Amino-3-phenyl-1-propanol;D-Penylalaninol | D-phenyl alaninol | M04116 | UNII-A6QY3U3O3V | D-(+)-Phenylalaninol | EINECS 226-086-1 | A6QY3U3O3V | Z1157651018 | (2R)-2-amino-3-phenylpropan-1-ol | (R)-(+)-2-amino-3-phenylpropan

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

D(+)-Phenylalaninol;(R)-(+)-2-Amino-3-phenyl-1-propanol;D-Penylalaninol | D-phenyl alaninol | M04116 | UNII-A6QY3U3O3V | D-(+)-Phenylalaninol | EINECS 226-086-1 | A6QY3U3O3V | Z1157651018 | (2R)-2-amino-3-phenylpropan-1-ol | (R)-(+)-2-amino-3-phenylpropan

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504760274

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760274

Sonrisas canónicas

C1=CC=C(C=C1)CC(CO)N

IUPAC Name

(2R)-2-amino-3-phenylpropan-1-ol

InChIKey

STVVMTBJNDTZBF-SECBINFHSA-N

INCHI

1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m1/s1

Isómeros SMILES

C1=CC=C(C=C1)C[C@H](CO)N

WGK Alemania

3

Número ONU

3259

Peso molecular

151.21

Beilstein

2208239

Reaxy-Rn

2208237

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208237&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Aralkylamines 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Aralkylamine - 1,2-aminoalcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Dichloromethane, Ethyl Acetate, Methanol.
• Sensibilidad: Air sensitive.
• Rotación específica [α]: 23.5 ° (C=1.2, 1mol/L HCl)
• Punto de ebullición (°C): 122°C/4mmHg
• Punto de fusión (°C): 90-92°C
• Peso molecular: 151.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 99.700
• 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