N-(tert-Butoxycarbonyl)-DL-phenylalaninol - ≥96% , CAS No.145149-48-0

CAS: 145149-48-0 Cat. No.: N158983 Peso molecular: 251.33

GRADE & PURITY ≥96%

Synonyms

(1-Hydroxymethyl-2-phenyl-ethyl)-carbamic acid-tert-butyl ester | Boc-D-Phenylalaninol;Boc-D-Phe-ol | A22802 | N-Boc-D/L-phenylalaninol | N-Boc- D-phenylalaninol | SY003751 | AKOS016344675 | B3269 | FT-0697690 | LDKDMDVMMCXTMO-UHFFFAOYSA-N | PD196062 | 2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(1-Hydroxymethyl-2-phenyl-ethyl)-carbamic acid-tert-butyl ester | Boc-D-Phenylalaninol;Boc-D-Phe-ol | A22802 | N-Boc-D/L-phenylalaninol | N-Boc- D-phenylalaninol | SY003751 | AKOS016344675 | B3269 | FT-0697690 | LDKDMDVMMCXTMO-UHFFFAOYSA-N | PD196062 | 2-

Especificaciones y pureza

≥96%

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

≥96%

Nombres e identificadores

• Pubchem Sid: 488190230
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190230
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CO
• IUPAC Name: tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
• InChIKey: LDKDMDVMMCXTMO-UHFFFAOYSA-N
• INCHI: 1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)
• Isómeros SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CO
• Peso molecular: 251.33
• Reaxy-Rn: 2851732
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2851732&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: Carbamate esters Organic carbonic acids and derivatives Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

Propiedades químicas y físicas

• Punto de fusión (°C): 86 °C
• Peso molecular: 251.320 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 251.152 Da
• Monoisotopic Mass: 251.152 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 254.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1