6-Benzyl-2-oxa-6-azaspiro[3.4]octan-8-amine Hydrochloride - CAS 219869-44-0
Catalog: |
BB073712 |
Product Name: |
6-Benzyl-2-oxa-6-azaspiro[3.4]octan-8-amine Hydrochloride |
CAS: |
219869-44-0 |
Synonyms: |
6-BENZYL-2-OXA-6-AZASPIRO[3.4]OCTAN-8-AMINE; 7-benzyl-2-oxa-7-azaspiro[3.4]octan-5-amine; 2-Oxa-6-azaspiro[3.4]octan-8-amine, 6-(phenylmethyl)-; 6-benzyl-2-oxa-6-azaspiro[3.4]oct-8-ylamine |
IUPAC Name: | 7-benzyl-2-oxa-7-azaspiro[3.4]octan-5-amine |
Description: | 6-Benzyl-2-oxa-6-azaspiro[3.4]octan-8-amine Hydrochloride is a useful research chemical compound used in preparation of benzothiazepines and analogs for the treatment and prophylaxis of respiratory syncytial virus infection. |
Molecular Weight: | 218.29 |
Molecular Formula: | C13H18N2O·HCl |
Canonical SMILES: | C1C(C2(CN1CC3=CC=CC=C3)COC2)N |
InChI: | InChI=1S/C13H18N2O/c14-12-7-15(8-13(12)9-16-10-13)6-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2 |
InChI Key: | LLMKHEIMRUSUMD-UHFFFAOYSA-N |
References: | Chen, L., et al.: PCT Int. Appl. WO 2013020993, 534, (2013). |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.141913202 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.141913202 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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