1-Boc-3-aminopyrrolidine - ≥98% , CAS No.186550-13-0

CAS: 186550-13-0 Cat. No.: B121663 Summenformel: C₉H₁₈N₂O₂ Molekulargewicht: 186.25 EG-Nummer: 624-257-9

GRADE & PURITY ≥98%

Synonyms

1-BocAP | (S)-N-Boc-3-aminopyrrolidine | racemic tert-butyl 3-aminopyrrolidine-1-carboxylate | 1,1-dimethylethyl 3-amino-1-pyrrolidinecarboxylate | FT-0601693 | B3890 | 3-amino-Boc-pyrrolidine | DL-3-Amino-1-N-Boc-Pyrrolidine | 1-Boc-3-aminopyrrolidine |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

1-BocAP | (S)-N-Boc-3-aminopyrrolidine | racemic tert-butyl 3-aminopyrrolidine-1-carboxylate | 1,1-dimethylethyl 3-amino-1-pyrrolidinecarboxylate | FT-0601693 | B3890 | 3-amino-Boc-pyrrolidine | DL-3-Amino-1-N-Boc-Pyrrolidine | 1-Boc-3-aminopyrrolidine |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504761470
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761470
• Kanonisches Lächeln: CC(C)(C)OC(=O)N1CCC(C1)N
• IUPAC Name: tert-butyl 3-aminopyrrolidine-1-carboxylate
• InChIKey: CMIBWIAICVBURI-UHFFFAOYSA-N
• INCHI: 1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3
• Isomere SMILES: CC(C)(C)OC(=O)N1CCC(C1)N
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: heat sensitive，air sensitive
• Brechungsindex: 1.471
• Flammpunkt (°F): 110 °C
• Flammpunkt (°C): 110°C
• Molekulargewicht: 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1