| CAS Number | 1432903-09-7 |
| Catalog Number | AG00IWAC(AGN-PC-0WAYBG) |
| Chemical Name | N'-[(1E)-(4-Amino-6-chloropyrimidin-5-yl)methylidene](tert-butoxy)carbohydrazide |
| IUPAC Name | tert-butyl N-[(E)-(4-amino-6-chloropyrimidin-5-yl)methylideneamino]carbamate |
| InChI | InChI=1S/C10H14ClN5O2/c1-10(2,3)18-9(17)16-15-4-6-7(11)13-5-14-8(6)12/h4-5H,1-3H3,(H,16,17)(H2,12,13,14)/b15-4+ |
| InChI Key | IQYKZYJEZUFSMT-SYZQJQIISA-N |
| MDL Number | MFCD24447580 |
| Molecular Formula | C10H14ClN5O2 |
| Molecular Weight | 271.7035 |
| SMILES | ClC1(=NC=NC(=C1C=NNC(=O)OC(C)(C)C)N) |
| Synonyms | 1432903-09-7,
ZX-RL000864,
MFCD24447580,
AKOS015996913,
BH-0708,
FCH4142187,
OR303265,
N'-[(1E)-(4-Amino-6-chloropyrimidin-5-yl)-methylidene](tert-butoxy)carbohydrazide,
N'-[(1E)-(4-amino-6-chloropyrimidin-5-yl)methylidene](tert-butoxy)carbohydrazide,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 271.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.705g/mol |
| Monoisotopic Mass | 271.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number