1-(2-Chlorophenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride - CAS 66504-70-9
Catalog: |
BB062443 |
Product Name: |
1-(2-Chlorophenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride |
CAS: |
66504-70-9 |
Synonyms: |
1-(2-chlorophenyl)-3-Azabicyclo[3.1.0]hexane Hydrochloride; (±)-1-(2-chlorophenyl)-3-Azabicyclo[3.1.0]hexane Hydrochloride |
IUPAC Name: | 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexanehydrochloride |
Description: | 1-(2-Chlorophenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride is a nonnarcotic analgesic agent. |
Molecular Weight: | 230.13 |
Molecular Formula: | C11H13Cl2N |
Canonical SMILES: | C1C2C1(CNC2)C3=CC=CC=C3Cl.Cl |
InChI: | InChI=1S/C11H12ClN.ClH/c12-10-4-2-1-3-9(10)11-5-8(11)6-13-7-11/h1-4,8,13H,5-7H21H |
InChI Key: | PAWQOMFZQDVYLL-UHFFFAOYSA-N |
References: | Epstein, J., et al. J. Med. Chem., 24, 481 (1981). |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0425048 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0425048 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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