| CAS Number | 1562232-96-5 |
| Catalog Number | AG00ANLP(AGN-PC-0WR45E) |
| Chemical Name | 2-(Di-Boc-amino)-3-chloro-pyridine |
| IUPAC Name | tert-butyl N-(3-chloropyridin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
| InChI | InChI=1S/C15H21ClN2O4/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)11-10(16)8-7-9-17-11/h7-9H,1-6H3 |
| InChI Key | MUVSNIBSHYPWRU-UHFFFAOYSA-N |
| MDL Number | MFCD28098148 |
| Molecular Formula | C15H21ClN2O4 |
| Molecular Weight | 328.7912 |
| SMILES | ClC1=CC=CN=C1N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O |
| Synonyms | 2-(Di-Boc-amino)-3-chloro-pyridine,
1562232-96-5,
CS-0060695,
tert-butyl N-[(tert-butoxy)carbonyl]-N-(3-chloropyridin-2-yl)carbamate,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.793g/mol |
| Monoisotopic Mass | 328.119g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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