| CAS Number | 1158759-24-0 |
| Catalog Number | AG000H0W(AGN-PC-0WALD4) |
| Chemical Name | tert-Butyl ((3-methylpiperidin-3-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate |
| InChI | InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-12(4)6-5-7-13-8-12/h13H,5-9H2,1-4H3,(H,14,15) |
| InChI Key | AFBJLLMPAKKANC-UHFFFAOYSA-N |
| MDL Number | MFCD12408583 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | O=C(OC(C)(C)C)NCC1(C)CNCCC1 |
| Synonyms | 1158759-24-0,
3-(BOC-AMINOMETHYL)-3-METHYLPIPERIDINE,
tert-Butyl ((3-methylpiperidin-3-yl)methyl)carbamate,
tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate,
KS-000006PF,
MFCD12408583,
AKOS024226626,
FCH1621589,
AK173659,
AS-50924,
3-(N-BOC-AMINOMETHYL)-3-PIPECOLINE,
CS-0048009,
Q-3114,
Tert-butyl[(3-methylpiperidin-3-yl)methyl]carbamate,
tert-Butyl N-[(3-methyl-3-piperidyl)methyl]carbamate,
Carbamic acid, N-[(3-methyl-3-piperidinyl)methyl]-, 1,1-dimethylethyl ester,
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| Complexity | 248 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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