Cas no 152378-30-8 (7-Azabicyclo[2.2.1]heptane,2-(6-chloro-3-pyridinyl)-, (1S,2S,4R)-)

7-Azabicyclo[2.2.1]heptane,2-(6-chloro-3-pyridinyl)-, (1S,2S,4R)- structure
152378-30-8 structure
Product Name:7-Azabicyclo[2.2.1]heptane,2-(6-chloro-3-pyridinyl)-, (1S,2S,4R)-
CAS No:152378-30-8
MF:C11H13ClN2
MW:208.687321424484
CID:186429
PubChem ID:3073763
Update Time:2025-04-19

7-Azabicyclo[2.2.1]heptane,2-(6-chloro-3-pyridinyl)-, (1S,2S,4R)- Chemical and Physical Properties

Names and Identifiers

    • 7-Azabicyclo[2.2.1]heptane,2-(6-chloro-3-pyridinyl)-, (1S,2S,4R)-
    • (-)-EPIBATIDINE-L-TARTRATE
    • (-)-dothiorelone A
    • (-)-Epibatidine
    • Benzeneacetic acid,3,5-dihydroxy-2-(7-hydroxy-1-oxooctyl)-,ethyl ester
    • Dothiorelone B
    • (1S-exo)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
    • CMI 477
    • CS-0020789
    • ( inverted exclamation markA)-Epibatidine
    • BDBM50143320
    • CHEMBL298517
    • (+)-EPIBATIDINE
    • (1S,2S,4R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
    • (-)-1-epidatidine
    • SCHEMBL316977
    • HY-101078
    • (??)-Epibatidine
    • 152378-30-8
    • CMI 545
    • GTPL5348
    • Epibatidine
    • (1S,2S,4R)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
    • Q423783
    • Tocris-0684
    • (1R,2R,4S)-Epibatidine
    • (1S,2S,4R)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane
    • CMI 488
    • DTXSID401176872
    • AKOS040740653
    • NCGC00024730-01
    • 2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
    • Inchi： 1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
    • InChI Key： NLPRAJRHRHZCQQ-UTLUCORTSA-N
    • SMILES： ClC1=CC=C(C=N1)[C@@H]1C[C@H]2CC[C@@H]1N2

Computed Properties

  • Exact Mass: 358.09300
  • Monoisotopic Mass: 208.0767261g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 24.9?2

Experimental Properties

  • Density: 1.223±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 62-63 oC (hexane )
  • Solubility: Slightly soluble (1.4 g/l) (25 o C),
  • PSA: 139.98000
  • LogP: 0.54910

7-Azabicyclo[2.2.1]heptane,2-(6-chloro-3-pyridinyl)-, (1S,2S,4R)- Security Information

  • Hazardous Material transportation number：UN 2811 6.1/PG 1
  • Hazard Category Code： 27/28
  • Safety Instruction： S28
  • Hazardous Material Identification： T+
  • Risk Phrases：R27/28
  • Safety Term：S28-36/37-45

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