| CAS Number | 1366002-50-7 |
| Catalog Number | AG01DOMP(AGN-PC-0WALC0) |
| Chemical Name | 4-(Phenethylamino)quinazoline-6-carbonitrile |
| IUPAC Name | 4-(2-phenylethylamino)quinazoline-6-carbonitrile |
| InChI | InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21) |
| InChI Key | XBJCNHGQFJFCOY-UHFFFAOYSA-N |
| MDL Number | MFCD23703036 |
| Molecular Formula | C17H14N4 |
| Molecular Weight | 274.3199 |
| SMILES | N#CC=1C=CC2=NC=NC(NCCC=3C=CC=CC3)=C2C1 |
| Synonyms | Senexin A,
1366002-50-7,
4-(Phenethylamino)quinazoline-6-carbonitrile,
C17H14N4,
SCHEMBL16172718,
BCP25089,
3995AD,
s8520,
ZINC87608303,
CS-6893,
NCGC00379223-01,
HY-15681,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.327g/mol |
| Monoisotopic Mass | 274.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number