1-Boc-4-propylaminopiperidine - ≥95% , CAS No.301225-58-1

CAS: 301225-58-1 Cat. No.: B183528 Formule: C₁₃H₂₆N₂O₂ Poids moléculaire: 242.4

GRADE & PURITY ≥95%

Synonyms

S12055 | tert-butyl4-(propylamino)piperidine-1-carboxylate | 4-(Prop-1-ylamino)piperidine, N1-BOC protected | A18597 | FT-0603855 | tert-butyl 4-(propylamino)piperidine-1-carboxylate | AKOS009847690 | AMY4924 | DS-7793 | 4-(n-(prop-1-yl)amino)-1-tert-buto

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

S12055 | tert-butyl4-(propylamino)piperidine-1-carboxylate | 4-(Prop-1-ylamino)piperidine, N1-BOC protected | A18597 | FT-0603855 | tert-butyl 4-(propylamino)piperidine-1-carboxylate | AKOS009847690 | AMY4924 | DS-7793 | 4-(n-(prop-1-yl)amino)-1-tert-buto

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CCCNC1CCN(CC1)C(=O)OC(C)(C)C

IUPAC Name

tert-butyl 4-(propylamino)piperidine-1-carboxylate

InChIKey

ANTLLZTXAVHLAU-UHFFFAOYSA-N

INCHI

1S/C13H26N2O2/c1-5-8-14-11-6-9-15(10-7-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3

Isomères SMILES

CCCNC1CCN(CC1)C(=O)OC(C)(C)C

Poids moléculaire

242.4

Reaxy-Rn

8983371

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8983371&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Aminopiperidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - 4-aminopiperidine - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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

Propriétés chimiques et physiques

• Poids moléculaire: 242.360 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 242.199 Da
• Monoisotopic Mass: 242.199 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 240.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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