| CAS Number | 1391194-56-1 |
| Catalog Number | AG01CBMG(AGN-PC-0WBN3D) |
| Chemical Name | 2-Amino-7-(chloromethyl)pteridin-4(1H)-one (90%) |
| IUPAC Name | 2-amino-7-(chloromethyl)-3H-pteridin-4-one |
| InChI | InChI=1S/C7H6ClN5O/c8-1-3-2-10-4-5(11-3)12-7(9)13-6(4)14/h2H,1H2,(H3,9,11,12,13,14) |
| InChI Key | WHPPYWZHBUBHST-UHFFFAOYSA-N |
| MDL Number | MFCD21363614 |
| Molecular Formula | C7H6ClN5O |
| Molecular Weight | 211.6084 |
| SMILES | NC1=NC(=O)c2ncc(CCl)nc2N1 |
| Synonyms | 2-Amino-7-(chloromethyl)pteridin-4(1H)-one Hydrochloride,
1391194-56-1,
SCHEMBL4816467,
ZINC59696724,
AKOS027323624,
Folic Acid EP Impurity F,
2-Amino-7-(chloromethyl)pteridin-4(1H)-one,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.609g/mol |
| Monoisotopic Mass | 211.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number