| CAS Number | 1017540-91-8 |
| Catalog Number | AG0005EC(AGN-PC-0WCXP9) |
| Chemical Name | 3-Azaspiro[5.5]undecane-9-acetic acid, methyl ester, hydrochloride (1:1) |
| IUPAC Name | methyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride |
| InChI | InChI=1S/C13H23NO2.ClH/c1-16-12(15)10-11-2-4-13(5-3-11)6-8-14-9-7-13;/h11,14H,2-10H2,1H3;1H |
| InChI Key | JJLDFWAJKSRBSJ-UHFFFAOYSA-N |
| MDL Number | MFCD28501529 |
| Molecular Formula | C13H24ClNO2 |
| Molecular Weight | 261.7882 |
| SMILES | O=C(OC)CC(CC1)CCC21CCNCC2.[H]Cl |
| Synonyms | 1017540-91-8,
Methyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate hydrochloride,
methyl 2-{3-azaspiro[5.5]undecan-9-yl}acetate hydrochloride,
Methyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate HCl,
Methyl 2-{3-azaspiro[5.5]undecan-9-yl}acetate HCl,
SCHEMBL1223805,
JJLDFWAJKSRBSJ-UHFFFAOYSA-N,
MFCD28501529,
KS-0000059W,
AK173966,
AS-52296,
CS-0049181,
methyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate HCl salt,
methyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride,
3-Azaspiro[5.5]undecane-9-acetic acid, methyl ester, hydrochloride (1:1),
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.79g/mol |
| Monoisotopic Mass | 261.15g/mol |
| Rotatable Bond Count | 3 |
| 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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