(3-hidroxiciclopentil)carbamato de bencilo - ≥98% , CAS No.939426-84-3

CAS: 939426-84-3 Cat. No.: B195956 Peso molecular: 235.28

GRADE & PURITY ≥98%

Synonyms

AKOS016003242 | SY114568 | SCHEMBL1182961 | benzyl ((1S,3R)-3-hydroxycyclopentyl)carbamate | AMY26500 | benzyl N-(3-hydroxycyclopentyl)carbamate | Benzyl(3-hydroxycyclopentyl)carbamate | 3-Cbz-amino-cyclopentanol | (3-HYDROXY-CYCLOPENTYL)-CARBAMIC ACID BE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS016003242 | SY114568 | SCHEMBL1182961 | benzyl ((1S, 3R)-3-hydroxycyclopentyl)carbamate | AMY26500 | benzyl N-(3-hydroxycyclopentyl)carbamate | Benzyl(3-hydroxycyclopentyl)carbamate | 3-Cbz-amino-cyclopentanol | (3-HYDROXY-CYCLOPENTYL)-CARBAMIC ACID BE

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CC(CC1NC(=O)OCC2=CC=CC=C2)O
• IUPAC Name: benzyl N-(3-hydroxycyclopentyl)carbamate
• InChIKey: BOLLUGKKOBOJGH-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,14,16)
• Isómeros SMILES: C1CC(CC1NC(=O)OCC2=CC=CC=C2)O
• Peso molecular: 235.28
• Reaxy-Rn: 13658485
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13658485&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: Cyclopentanols Carbamate esters Organic carbonic acids and derivatives Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Cyclopentanol - Cyclic alcohol - Carbamic acid ester - Carbonic acid derivative - Secondary alcohol - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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: 235.280 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 235.121 Da
• Monoisotopic Mass: 235.121 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1