N-tert-Butoxycarbonyl Tyramine - ≥97%(GC) , CAS No.64318-28-1

CAS: 64318-28-1 Cat. No.: N136988 Peso molecular: 237.3 Número EC: 627-786-3

GRADE & PURITY ≥97%(GC)

Synonyms

N-(tert-Butoxycarbonyl)-4-hydroxyphenethylamine | SY047807 | t-Butyl [2-(4-hydroxyphenyl)ethyl]carbamate | SCHEMBL100146 | [2-(4-hydroxy-phenyl)-ethyl]-carbamic acid tert-butyl ester | [2-(4-Hydroxy-phenyl)-ethyl]carbamic acid tert-butyl ester | [2-(4-hyd

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(tert-Butoxycarbonyl)-4-hydroxyphenethylamine | SY047807 | t-Butyl [2-(4-hydroxyphenyl)ethyl]carbamate | SCHEMBL100146 | [2-(4-hydroxy-phenyl)-ethyl]-carbamic acid tert-butyl ester | [2-(4-Hydroxy-phenyl)-ethyl]carbamic acid tert-butyl ester | [2-(4-hyd

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488197776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197776
• Sonrisas canónicas: CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)O
• IUPAC Name: tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
• InChIKey: ILNOTKMMDBWGOK-UHFFFAOYSA-N
• INCHI: 1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-8-10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
• Isómeros SMILES: CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)O
• WGK Alemania: 3
• Peso molecular: 237.3
• Reaxy-Rn: 2730982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2730982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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): 72 °C
• Peso molecular: 237.290 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 237.136 Da
• Monoisotopic Mass: 237.136 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 240.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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