| CAS Number | 887571-50-8 |
| Catalog Number | AG01DWSJ |
| Chemical Name | 7-(4-Methylphenyl)pteridine |
| IUPAC Name | 7-(4-methylphenyl)pteridine |
| InChI | InChI=1S/C13H10N4/c1-9-2-4-10(5-3-9)11-7-15-12-6-14-8-16-13(12)17-11/h2-8H,1H3 |
| InChI Key | WIKGOJPAYOWLOB-UHFFFAOYSA-N |
| MDL Number | MFCD00234817 |
| Molecular Formula | C13H10N4 |
| Molecular Weight | 222.2453 |
| SMILES | CC1=CC=C(C2=NC3=C(C=NC=N3)N=C2)C=C1 |
| Synonyms | 7-(4-methylphenyl)pteridine,
887571-50-8,
AC1LG9A0,
CTK6B8094,
ZINC331418,
SBB096324,
AC-907/25005224,
CID817493,
ZINC00331418,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.251g/mol |
| Monoisotopic Mass | 222.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number