| CAS Number | 1187385-60-9 |
| Catalog Number | AG003UKW(AGN-PC-07XUFU) |
| Chemical Name | 2-(N-BOC-N-methylamino)-3-picoline |
| IUPAC Name | tert-butyl N-methyl-N-(3-methylpyridin-2-yl)carbamate |
| InChI | InChI=1S/C12H18N2O2/c1-9-7-6-8-13-10(9)14(5)11(15)16-12(2,3)4/h6-8H,1-5H3 |
| InChI Key | BPUKNLSIBNNSDN-UHFFFAOYSA-N |
| MDL Number | MFCD12546498 |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.2835 |
| SMILES | O=C(N(c1ncccc1C)C)OC(C)(C)C |
| Synonyms | tert-Butyl methyl(3-methylpyridin-2-yl)carbamate,
1187385-60-9,
2-(N-BOC-N-methylamino)-3-picoline,
CTK8B4160,
DTXSID90675160,
ANW-44146,
MFCD12546498,
ZINC38537703,
AKOS015895030,
FCH1623706,
AJ-96208,
AX8228934,
TR-034230,
ST24025981,
Z7945,
A-5254,
I05-639,
C12H18N2O2,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.288g/mol |
| Monoisotopic Mass | 222.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number