(R)-(-)-3-Aminopyrrolidine dihydrochloride - ≥98% , CAS No.116183-81-4

CAS: 116183-81-4 Cat. No.: R115472 Molecular Weight: 159.06 Beilstein Registry Number: 5852700 EC Number: 634-214-6 PubChem CID: 13500643

GRADE & PURITY ≥98%

Synonyms

AM81992 | A1053 | AKOS015845493 | DTXSID60542330 | (R)-(+)-3-Aminopyrrolidine 2HCl | (3R)-pyrrolidin-3-amine;dihydrochloride | (R)-3-Aminopyrrolidine dihydrochloride | (R)-3-Amino-pyrrolidine dihydrochloride | SCHEMBL1266793 | (R)-pyrrolidin-3-amine dihyd

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AM81992 | A1053 | AKOS015845493 | DTXSID60542330 | (R)-(+)-3-Aminopyrrolidine 2HCl | (3R)-pyrrolidin-3-amine;dihydrochloride | (R)-3-Aminopyrrolidine dihydrochloride | (R)-3-Amino-pyrrolidine dihydrochloride | SCHEMBL1266793 | (R)-pyrrolidin-3-amine dihyd

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767420
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767420
• Canonical Smiles: C1CNCC1N.Cl.Cl
• IUPAC Name: (3R)-pyrrolidin-3-amine;dihydrochloride
• InChIKey: NJPNCMOUEXEGBL-RZFWHQLPSA-N
• INCHI: 1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H/t4-;;/m1../s1
• Isomeric SMILES: C1CNC[C@@H]1N.Cl.Cl
• WGK Germany: 3
• PubChem CID: 13500643
• Molecular Weight: 159.06
• Beilstein: 5852700
• Reaxy-Rn: 5852700

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: Dialkylamines Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen 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 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: Hygroscopic.
• Specific Rotation[α]: -1.1° (C=10,H2O)
• Melt Point(°C): 83°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: 1
• 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: 3

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