| CAS Number | 203662-48-0 |
| Catalog Number | AG00291Z(AGN-PC-0WCKAM) |
| Chemical Name | 6-Azaspiro[3.4]octane-6-carboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-(hydroxymethyl)-6-azaspiro[3.4]octane-6-carboxylate |
| InChI | InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-5-4-13(9-14)6-10(7-13)8-15/h10,15H,4-9H2,1-3H3 |
| InChI Key | NADWHBFAGOIEAE-UHFFFAOYSA-N |
| MDL Number | MFCD22419346 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | O=C(N(CC1)CC21CC(CO)C2)OC(C)(C)C |
| Synonyms | 203662-48-0,
tert-Butyl 2-(hydroxymethyl)-6-azaspiro[3.4]octane-6-carboxylate,
6-BOC-6-AZA-SPIRO[3.4]OCTANE-2-METHANOL,
SCHEMBL20231859,
KS-000006WN,
MFCD22419346,
ZINC95084625,
AKOS025290086,
FCH1642495,
PB37442,
SB20095,
AK172185,
AM100479,
AS-39947,
6-Boc-6-azaspiro[3.4]octane-2-methanol,
CS-0048459,
Q-4615,
6-Azaspiro[3.4]octane-6-carboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.331g/mol |
| Monoisotopic Mass | 241.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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