6-Boc-2,6-Diaza-Spiro[3.4]Octane Hydrochloride - CAS 1841081-35-3
Catalog: |
BB072422 |
Product Name: |
6-Boc-2,6-Diaza-Spiro[3.4]Octane Hydrochloride |
CAS: |
1841081-35-3 |
Synonyms: |
tert-butyl 2,6-diazaspiro[3.4]octane-6-carboxylate hydrochloride; 6-Boc-2,6-diaza-spiro[3.4]octane hydrochloride; tert-butyl 2,6-diazaspiro[3.4]octane-6-carboxylate; hydrochloride; 2,6-Diazaspiro[3.4]octane-6-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1); tert-Butyl 2,6-diazaspiro[3.4]octane-6-carboxylate HCl; 6-Boc-2,6-diazaspiro[3.4]octane Hydrochloride |
IUPAC Name: | tert-butyl 2,6-diazaspiro[3.4]octane-6-carboxylatehydrochloride |
Molecular Weight: | 212.29 + (36.46) |
Molecular Formula: | C11H20N2O2·HCl |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(C1)CNC2.Cl |
InChI: | InChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-5-4-11(8-13)6-12-7-11/h12H,4-8H2,1-3H31H |
InChI Key: | WECWNXKIVSKUCQ-UHFFFAOYSA-N |
References: | Curtin, M.L., et al. U.S. Pat. Appl. Publ. (2012), US 20120122842 A1 20120517. May 17, 2012; Ando, M., et al. PCT Int. Appl. (2009), WO 2009154132 A1 20091223. Dec 23, 2009. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.1291556 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.1291556 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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