| CAS Number | 302341-61-3 |
| Catalog Number | AG00BX2J(AGN-PC-03HHIQ) |
| Chemical Name | 3-(Boc-aminomethyl)-6-cyanopyridine |
| IUPAC Name | tert-butyl N-[(6-cyanopyridin-3-yl)methyl]carbamate |
| InChI | InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-8-9-4-5-10(6-13)14-7-9/h4-5,7H,8H2,1-3H3,(H,15,16) |
| InChI Key | VJMBHARIHIDJMC-UHFFFAOYSA-N |
| MDL Number | MFCD24466038 |
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.2664 |
| SMILES | N#Cc1ccc(cn1)CNC(=O)OC(C)(C)C |
| Synonyms | 302341-61-3,
3-(Boc-aminomethyl)-6-cyanopyridine,
5-(tert-Butoxycarbonylaminomethyl)pyridine-2-carbonitrile,
tert-Butyl ((6-cyanopyridin-3-yl)methyl)carbamate,
SCHEMBL2586677,
VJMBHARIHIDJMC-UHFFFAOYSA-N,
MFCD24466038,
AKOS027252779,
ZINC138703571,
3-(tert-Butoxycarbonylamino-methyl)-6-cyano-pyridine,
tert-butyl N-[(6-cyanopyridin-3-yl)methyl]carbamate,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.271g/mol |
| Monoisotopic Mass | 233.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number