N-Benzyloxycarbonyl-(isopropoxymethyl)amine - ≥97% , CAS No.1122410-32-5

CAS: 1122410-32-5 Cat. No.: N468585 Peso molecular: 223.27 Número EC: 693-933-3

GRADE & PURITY ≥97%

Synonyms

1122410-32-5 | Benzyl (isopropoxymethyl)carbamate | Benzyl N-(isopropoxymethyl)carbamate | MFCD11506676 | Benzyl {[(propan-2-yl)oxy]methyl}carbamate | Benzyl isopropoxymethyl-carbamate | benzyl N-(propan-2-yloxymethyl)carbamate | BS-48032 | N-Benzyloxycar

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1122410-32-5 | Benzyl (isopropoxymethyl)carbamate | Benzyl N-(isopropoxymethyl)carbamate | MFCD11506676 | Benzyl {[(propan-2-yl)oxy]methyl}carbamate | Benzyl isopropoxymethyl-carbamate | benzyl N-(propan-2-yloxymethyl)carbamate | BS-48032 | N-Benzyloxycar

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504770191
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770191
• Sonrisas canónicas: CC(C)OCNC(=O)OCC1=CC=CC=C1
• IUPAC Name: benzyl N-(propan-2-yloxymethyl)carbamate
• InChIKey: NJNHLPYLCKMUMH-UHFFFAOYSA-N
• INCHI: 1S/C12H17NO3/c1-10(2)16-9-13-12(14)15-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
• Isómeros SMILES: CC(C)OCNC(=O)OCC1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 223.27
• Reaxy-Rn: 20207661
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20207661&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - 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 benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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

• Peso molecular: 223.270 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 223.121 Da
• Monoisotopic Mass: 223.121 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 200.000
• 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