| CAS Number | 1251002-26-2 |
| Catalog Number | AG00HHZC(AGN-PC-0WG4EN) |
| Chemical Name | 7-Aminomethyl-6-Oxa-2-Aza-Spiro[3.4]Octane-2-Carboxylic Acid Tert-Butyl Ester |
| IUPAC Name | tert-butyl 7-(aminomethyl)-6-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-12(7-14)4-9(5-13)16-8-12/h9H,4-8,13H2,1-3H3 |
| InChI Key | IXCHOXSIUCWEJS-UHFFFAOYSA-N |
| MDL Number | MFCD14581238 |
| Molecular Formula | C12H22N2O3 |
| Molecular Weight | 242.3147 |
| SMILES | CC(OC(N1CC2(CC(CN)OC2)C1)=O)(C)C |
| Synonyms | 1251002-26-2,
tert-Butyl 7-(aminomethyl)-6-oxa-2-azaspiro[3.4]octane-2-carboxylate,
7-Aminomethyl-6-Oxa-2-Aza-Spiro[3.4]Octane-2-Carboxylic Acid Tert-Butyl Ester,
MFCD14581238,
AM805617,
CS-0037466,
7-Aminomethyl-6-oxa-2-aza-spiro[3.4]octane-2-carboxylic acid t-butyl ester,
7-Aminomethyl-6-oxa-2-aza-spiro[3.4]octane-2-carboxylicacidtert-butylester,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.319g/mol |
| Monoisotopic Mass | 242.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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