benzyl N-[(3S)-pyrrolidin-3-yl]carbamate - ≥97% , CAS No.176970-12-0

CAS: 176970-12-0 Cat. No.: B635698 Peso molecular: 220.27 Número EC: 676-046-6

GRADE & PURITY ≥97%

Synonyms

(S)-Pyrrolidin-3-yl-carbamic acid benzyl ester | (s)-benzyl pyrrolidin-3-ylcarbamate | (S)--3-N-Cbz-aminopyrrolidine | (S)-3-N-Cbz-aminopyrrolidine | (S)-3-(CBZ-AMINO)PYRROLIDINE | s-3zap

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

(S)-Pyrrolidin-3-yl-carbamic acid benzyl ester | (s)-benzyl pyrrolidin-3-ylcarbamate | (S)--3-N-Cbz-aminopyrrolidine | (S)-3-N-Cbz-aminopyrrolidine | (S)-3-(CBZ-AMINO)PYRROLIDINE | s-3zap

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CNCC1NC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl N-[(3S)-pyrrolidin-3-yl]carbamate
• InChIKey: DSOICHFMGRBFCM-NSHDSACASA-N
• INCHI: 1S/C12H16N2O2/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m0/s1
• Isómeros SMILES: C1CNC[C@H]1NC(=O)OCC2=CC=CC=C2
• CAS alternativo: 176970-12-0
• Peso molecular: 220.27
• Reaxy-Rn: 8768264
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8768264&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: Pyrrolidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Pyrrolidine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic 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

• Sensibilidad: light sensitive
• Peso molecular: 220.270 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 220.121 Da
• Monoisotopic Mass: 220.121 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 227.000
• 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