7-azabicyclo[2.2.1]heptane hydrochloride - ≥97% , CAS No.27514-07-4

CAS: 27514-07-4 Cat. No.: A175977 Molecular Weight: 133.62 EC Number: 823-620-0

GRADE & PURITY ≥97%

Synonyms

A-Alanine tert inverted exclamation mark currencybutyl ester hydrochloride | 7-aza-bicyclo [2.2.1]heptane hydrochloride | 7-azabicyclo[2.2.1]heptanehydrochloride | 7-Azabicyclo[2.2.1]heptane, HCl | 7-azabicyclo[2.2.1]heptane;hydrochloride | o-tert-butyl-l

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A-Alanine tert inverted exclamation mark currencybutyl ester hydrochloride | 7-aza-bicyclo [2.2.1]heptane hydrochloride | 7-azabicyclo[2.2.1]heptanehydrochloride | 7-Azabicyclo[2.2.1]heptane, HCl | 7-azabicyclo[2.2.1]heptane;hydrochloride | o-tert-butyl-l

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199372
• Canonical Smiles: C1CC2CCC1N2.Cl
• IUPAC Name: 7-azabicyclo[2.2.1]heptane;hydrochloride
• InChIKey: JQHCKZLQJDVZPH-UHFFFAOYSA-N
• INCHI: 1S/C6H11N.ClH/c1-2-6-4-3-5(1)7-6;/h5-7H,1-4H2;1H
• Isomeric SMILES: C1CC2CCC1N2.Cl
• Molecular Weight: 133.62
• Reaxy-Rn: 5044262
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5044262&ln=

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 Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Quaternary ammonium salt - Pyrrolidine - Azacycle - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Organic cation - Aliphatic heteropolycyclic 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

• Molecular Weight: 133.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.066 Da
• Monoisotopic Mass: 133.066 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.200
• 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: 2

XLogP3