| CAS Number | 943845-48-5 |
| Catalog Number | AG00II4J(AGN-PC-0WOKTK) |
| Chemical Name | N-BOC-(2-Methoxypyridin-4-yl)methanamine |
| IUPAC Name | tert-butyl N-[(2-methoxypyridin-4-yl)methyl]carbamate |
| InChI | InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14-8-9-5-6-13-10(7-9)16-4/h5-7H,8H2,1-4H3,(H,14,15) |
| InChI Key | QDOOVCGRSZYELC-UHFFFAOYSA-N |
| MDL Number | MFCD21106036 |
| Molecular Formula | C12H18N2O3 |
| Molecular Weight | 238.2829 |
| SMILES | COc1nccc(c1)CNC(=O)OC(C)(C)C |
| Synonyms | 943845-48-5,
N-BOC-(2-Methoxypyridin-4-yl)methanamine,
tert-Butyl ((2-methoxypyridin-4-yl)methyl)carbamate,
SCHEMBL10165065,
ZINC82609418,
AKOS013099602,
2-Methyl-2-propanyl (2-methoxy-4-pyridinyl)methylcarbamate,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number