| CAS Number | 1000894-83-6 |
| Catalog Number | AG00H95J(AGN-PC-0WNNFD) |
| Chemical Name | 1-Piperidinecarboxylic acid, 3,3-dimethyl-5-oxo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3,3-dimethyl-5-oxopiperidine-1-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-9(14)6-12(4,5)8-13/h6-8H2,1-5H3 |
| InChI Key | XIVWTYQQVHHCFB-UHFFFAOYSA-N |
| MDL Number | MFCD23106045 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | C(=O)(OC(C)(C)C)N1CC(C)(C)CC(=O)C1 |
| Synonyms | 1-Boc-5,5-dimethyl-3-piperidone,
1000894-83-6,
tert-butyl 3,3-dimethyl-5-oxopiperidine-1-carboxylate,
SCHEMBL8134162,
MFCD23106045,
ZINC84249191,
1-Boc-3,3-dimethyl-5-oxopiperidine,
AKOS025403213,
PB36457,
SB20774,
AS-51806,
DA-16579,
CS-0048347,
FT-0728973,
tert-butyl 3,3-dimethyl-5-oxopiperidine-1-,
Q-4019,
Carboxylate,
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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 | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number