3-Aminopiperidine dihydrochloride - ≥97% , CAS No.138060-07-8

CAS: 138060-07-8 Cat. No.: A121533 Molecular Weight: 173.08 EC Number: 630-778-2 PubChem CID: 16211870

GRADE & PURITY ≥97%

Synonyms

FT-0630220 | 3-Aminopiperidine dihydrochloride | 3-Amino-Piperidine Di-Hydrochloride | AM81346 | 3-Aminopiperidine DiHCl | FT-0643277 | 5-BROMO-2-PHENYLAMINO-BENZOICACID | SY009305 | DS-0819 | 3-Piperidinamine, hydrochloride (1:2) | piperidin-3-aminedihyd

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Estimation of (S)-piperidin-3-amine in (R)-piperidin-3-amine dihydrochloride (3-aminopiperidine dihydrochloride) has been investigated by chiral high-performance liquid chromatographic (chiral HPLC) method
Reactant for N-arylation of heterocyclic diamines Reactant for synthesis of substituted quinolones with reduced phototoxic risk

Specifications

Synonyms

FT-0630220 | 3-Aminopiperidine dihydrochloride | 3-Amino-Piperidine Di-Hydrochloride | AM81346 | 3-Aminopiperidine DiHCl | FT-0643277 | 5-BROMO-2-PHENYLAMINO-BENZOICACID | SY009305 | DS-0819 | 3-Piperidinamine, hydrochloride (1:2) | piperidin-3-aminedihyd

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199131
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199131
• Canonical Smiles: C1CC(CNC1)N.Cl.Cl
• IUPAC Name: piperidin-3-amine;dihydrochloride
• InChIKey: GGPNYXIOFZLNKW-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2.2ClH/c6-5-2-1-3-7-4-5;;/h5,7H,1-4,6H2;2*1H
• Isomeric SMILES: C1CC(CNC1)N.Cl.Cl
• WGK Germany: 3
• PubChem CID: 16211870
• Molecular Weight: 173.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Aminopiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Aminopiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopiperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 3-aminopiperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopiperidines. These are compounds containing a piperidine that carries an amino 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

Chemical and Physical Properties

• Solubility: Partly miscible in water.
• Sensitivity: Hygroscopic
• Melt Point(°C): 230°C
• Molecular Weight: 173.080 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 172.053 Da
• Monoisotopic Mass: 172.053 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 54.000
• 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: 3

XLogP3

References

1. Xin Guo, Zhiyuan Wang, Siqi Jiang, Mengwei Li, Jianing Guo, Yu Cui, Xueyang Wei, Baohui Qi, Qizhong Huang, Yanduo Liu, Hongquan Jiang, Yufeng Hu.  (2024)  Inductive effect in amino functionalized ionic liquids modified TS-1 nanosheets for efficiently sunlight-driven CO2 reduction.  FUEL,      [PMID:] [10.1016/j.fuel.2024.131504]