3-Aminopyrrolidine dihydrochloride - ≥98% , CAS No.103831-11-4

CAS: 103831-11-4 Cat. No.: A128215 Molecular Weight: 159.06 EC Number: 600-494-3 PubChem CID: 16212596

GRADE & PURITY ≥98%

Synonyms

J-001042 | 2-AMINOMETHYL-1H-IMIDAZOLE 2HCL | pyrrolidin-3-aminedihydrochloride | BBL100047 | FT-0604730 | 4-NITROPHENOLSODIUMSALT | FT-0604720 | pyrrolidin-3-amine 2HCl | 3-pyrrolidinamine dihydrochloride | 3-Aminopyurrolidine 2HCl | AKOS015844825 | A8008

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-Aminopyrrolidine dihydrochloride (3-pyrrolidinamine dihydrochloride) is one of the key intermediate of tosufloxacin and other quinolone antibiotics.
3-Aminopyrrolidine dihydrochloride is the suitable reagent used as an internal standard for the quantitative analysis of amino acids in bio-fluids. (R,S) 3-Aminopyrrolidine dihydrochloride may be used in the preparation of cis-[PdCl2(pyrr)] and cis-[PtCl2(pyrr)] (pyrr= (R,S)-3-aminopyrrolidine) complexes.

Specifications

Synonyms

J-001042 | 2-AMINOMETHYL-1H-IMIDAZOLE 2HCL | pyrrolidin-3-aminedihydrochloride | BBL100047 | FT-0604730 | 4-NITROPHENOLSODIUMSALT | FT-0604720 | pyrrolidin-3-amine 2HCl | 3-pyrrolidinamine dihydrochloride | 3-Aminopyurrolidine 2HCl | AKOS015844825 | A8008

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199167
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199167
• Canonical Smiles: C1CNCC1N.Cl.Cl
• IUPAC Name: pyrrolidin-3-amine;dihydrochloride
• InChIKey: NJPNCMOUEXEGBL-UHFFFAOYSA-N
• INCHI: 1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H
• Isomeric SMILES: C1CNCC1N.Cl.Cl
• WGK Germany: 3
• PubChem CID: 16212596
• Molecular Weight: 159.06
• Reaxy-Rn: 7429649

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Quaternary ammonium salts Dialkylamines Azacyclic compounds Organic chloride salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Quaternary ammonium salt - Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Organic cation - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 159.050 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.038 Da
• Monoisotopic Mass: 158.038 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 44.800
• 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