6-Endo-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane Hydrochloride - CAS 1212322-57-0
Catalog: |
BB066282 |
Product Name: |
6-Endo-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane Hydrochloride |
CAS: |
1212322-57-0 |
Synonyms: |
(1α, 5α, 6α) -6- (Trifluoromethyl) -3- azabicyclo[3.1.0] hexane Hydrochloride; (1R,5S,6r)-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane Hydrochloride |
IUPAC Name: | (1S,5R)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexanehydrochloride |
Description: | 6-Endo-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride is used as a reactant in the preparation of stereoisomeric trifluoromethylazabicyclo[3.1.0]hexanes from N-benzylmaleimide as conformationally restricted analogs of trifluoromethylpiperidine. |
Molecular Weight: | 151.13 + 36.46 |
Molecular Formula: | C6H8F3N·HCl |
Canonical SMILES: | C1C2C(C2C(F)(F)F)CN1.Cl |
InChI: | InChI=1S/C6H8F3N.ClH/c7-6(8,9)5-3-1-10-2-4(3)5/h3-5,10H,1-2H21H/t3-,4+,5? |
InChI Key: | RJEVOPRUJWDKRJ-FLGDEJNQSA-N |
References: | Artamonov, O., et al. Synthesis, 45, 225 (2013). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0375615 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0375615 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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