| CAS Number | 1363383-33-8 |
| Catalog Number | AG0011RJ(AGN-PC-0WBRIO) |
| Chemical Name | tert-Butyl 4-(bromomethyl)-4-methylpiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(bromomethyl)-4-methylpiperidine-1-carboxylate |
| InChI | InChI=1S/C12H22BrNO2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-9H2,1-4H3 |
| InChI Key | AJQJBZGMIYZGLM-UHFFFAOYSA-N |
| MDL Number | MFCD23105888 |
| Molecular Formula | C12H22BrNO2 |
| Molecular Weight | 292.2126 |
| SMILES | O=C(N1CCC(C)(CBr)CC1)OC(C)(C)C |
| Synonyms | 1363383-33-8,
tert-butyl 4-(bromomethyl)-4-methylpiperidine-1-carboxylate,
4-Bromomethyl-1-Boc-4-methylpiperidine,
KS-000007CS,
MFCD23105888,
ZINC95743193,
AKOS025290247,
PB37152,
SB20468,
AS-34634,
CS-0048249,
Q-2518,
tert-butyl 4-(bromomethyl)-4-methylpiperidine-1-,
tert-Butyl 4-(bromomethyl)-4-methyl-piperidine-1-carboxylate,
1-Piperidinecarboxylic acid, 4-(bromomethyl)-4-methyl-, 1,1-dimethylethyl ester,
Carboxylate,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.217g/mol |
| Monoisotopic Mass | 291.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number