| CAS Number | 1158759-16-0 |
| Catalog Number | AG000H0X(AGN-PC-0WNNER) |
| Chemical Name | 1-Piperidinecarboxylic acid, 3-(aminomethyl)-3-methyl-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-(aminomethyl)-3-methylpiperidine-1-carboxylate |
| InChI | InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-7-5-6-12(4,8-13)9-14/h5-9,13H2,1-4H3 |
| InChI Key | OTKNVRVCUGATSZ-UHFFFAOYSA-N |
| MDL Number | MFCD12408579 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | CC1(CN)CN(C(OC(C)(C)C)=O)CCC1 |
| Synonyms | 1-BOC-3-(AMINOMETHYL)-3-METHYLPIPERIDINE,
1158759-16-0,
TERT-BUTYL 3-(AMINOMETHYL)-3-METHYLPIPERIDINE-1-CARBOXYLATE,
1-PIPERIDINECARBOXYLIC ACID, 3-(AMINOMETHYL)-3-METHYL-, 1,1-DIMETHYLETHYL ESTER,
DTXSID90857181,
MFCD12408579,
AKOS024226655,
PB20747,
AS-36456,
AB0074911,
CS-0054668,
Q-2190,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number