cis-3-(boc-amino)-4-methoxypyrrolidine - ≥97% , CAS No.128739-89-9

CAS: 128739-89-9 Cat. No.: C173224 Peso molecular: 216.281 Número EC: 853-091-1

GRADE & PURITY ≥97%

Synonyms

TERT-BUTYL N-[(3R,4S)-4-METHOXYPYRROLIDIN-3-YL]CARBAMATE | (3R,4S)-3-(Boc-amino)-4-methoxypyrrolidine | P18885 | AS-52431 | t-Butyl N-[(3R,4S)-4-methoxypyrrolidin-3-yl]carbamate | tert.-Butyl N-(cis-4-methoxypyrrolidin-3-yl)carbamate | tert.-Butyl N-(cis-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

TERT-BUTYL N-[(3R, 4S)-4-METHOXYPYRROLIDIN-3-YL]CARBAMATE | (3R, 4S)-3-(Boc-amino)-4-methoxypyrrolidine | P18885 | AS-52431 | t-Butyl N-[(3R, 4S)-4-methoxypyrrolidin-3-yl]carbamate | tert.-Butyl N-(cis-4-methoxypyrrolidin-3-yl)carbamate | tert.-Butyl N-(cis-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC1CNCC1OC
• IUPAC Name: tert-butyl N-[(3R,4S)-4-methoxypyrrolidin-3-yl]carbamate
• InChIKey: PIGDOXPNNMFBNA-SFYZADRCSA-N
• INCHI: 1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-5-11-6-8(7)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1OC
• Peso molecular: 216.281
• Reaxy-Rn: 34279358
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34279358&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Carbamate esters Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Carbamic acid ester - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which 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

• Peso molecular: 216.280 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.147 Da
• Monoisotopic Mass: 216.147 Da
• Topological Polar Surface Area: 59.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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