(R)-(+)-N-Boc-3-aminopirrolidina - ≥97% , CAS No.147081-49-0

CAS: 147081-49-0 Cat. No.: B115464 Peso molecular: 186.25 Número EC: 604-556-0

GRADE & PURITY ≥97%

Synonyms

BCP10029 | BP-21177 | (R)-(+)-1-(tert-butoxycabonyl)-3-aminopyrrolidine | SCHEMBL241779 | (3R)-(+)-3-Amino-1-(tert-butoxycarbonyl)pyrrolidine | (R)-3-Amino-N-(t-butoxycarbonyl)-pyrrolidine | (3r)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine | (R)-(-)-N-Boc-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

BCP10029 | BP-21177 | (R)-(+)-1-(tert-butoxycabonyl)-3-aminopyrrolidine | SCHEMBL241779 | (3R)-(+)-3-Amino-1-(tert-butoxycarbonyl)pyrrolidine | (R)-3-Amino-N-(t-butoxycarbonyl)-pyrrolidine | (3r)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine | (R)-(-)-N-Boc-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191644
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191644
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(C1)N
• IUPAC Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
• InChIKey: CMIBWIAICVBURI-SSDOTTSWSA-N
• INCHI: 1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)N
• WGK Alemania: 3
• Número ONU: 2810
• Peso molecular: 186.25
• Reaxy-Rn: 8763301
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8763301&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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: Air sensitive.
• Índice de refracción: 1.472
• Rotación específica [α]: 4 ° (C=1, CHCl3)
• Punto de inflamación (°F): 91 °C
• Punto de inflamación (°C): 91°C
• Punto de ebullición (°C): 243-244°C
• Peso molecular: 186.250 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.137 Da
• Monoisotopic Mass: 186.137 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 198.000
• 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