| CAS Number | 334018-92-7 |
| Catalog Number | AG00I6KT(AGN-PC-0WRADG) |
| Chemical Name | tert-butyl N-[(2-methoxypyridin-3-yl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(2-methoxypyridin-3-yl)methyl]carbamate |
| InChI | InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14-8-9-6-5-7-13-10(9)16-4/h5-7H,8H2,1-4H3,(H,14,15) |
| InChI Key | VYJCXTILTCBQIS-UHFFFAOYSA-N |
| MDL Number | MFCD21106065 |
| Molecular Formula | C12H18N2O3 |
| Molecular Weight | 238.2829 |
| SMILES | COc1ncccc1CNC(=O)OC(C)(C)C |
| Synonyms | tert-butyl N-[(2-methoxypyridin-3-yl)methyl]carbamate,
334018-92-7,
SCHEMBL12675417,
VYJCXTILTCBQIS-UHFFFAOYSA-N,
AKOS013099221,
tertiary butyl N-[(2-methoxy-3-pyridyl)methyl]carbamate,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.287g/mol |
| Monoisotopic Mass | 238.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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