| CAS Number | 1803608-00-5 |
| Catalog Number | AG01BBLW |
| Chemical Name | Ethyl 2-{3-azaspiro[5.5]undecan-9-yl}acetate hydrochloride |
| IUPAC Name | ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride |
| InChI | InChI=1S/C14H25NO2.ClH/c1-2-17-13(16)11-12-3-5-14(6-4-12)7-9-15-10-8-14;/h12,15H,2-11H2,1H3;1H |
| InChI Key | QRFATOAMIXVMSA-UHFFFAOYSA-N |
| MDL Number | MFCD28506041 |
| Molecular Formula | C14H26ClNO2 |
| Molecular Weight | 275.8147 |
| SMILES | O=C(OCC)CC(CC1)CCC21CCNCC2.[H]Cl |
| Synonyms | 3-Azaspiro[5.5]undecane-9-acetic acid ethyl ester hydrochloride,
189333-20-8,
3-Azaspiro[5.5]undecane-9-acetic acid, ethyl ester HCl salt,
AKOS030527556,
EN300-214556,
ETHYL 2-{3-AZASPIRO[5.5]UNDECAN-9-YL}ACETATE HYDROCHLORIDE,
1803608-00-5,
N/A,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.817g/mol |
| Monoisotopic Mass | 275.165g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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