| CAS Number | 501935-96-2 |
| Catalog Number | AG00DMMG(AGN-PC-0JR7ZY) |
| Chemical Name | 9-Acridinecarbonitrile, 3,6-diamino- |
| IUPAC Name | 3,6-diaminoacridine-9-carbonitrile |
| InChI | InChI=1S/C14H10N4/c15-7-12-10-3-1-8(16)5-13(10)18-14-6-9(17)2-4-11(12)14/h1-6H,16-17H2 |
| InChI Key | PUMGFEMNXBLDKD-UHFFFAOYSA-N |
| MDL Number | MFCD18823119 |
| Molecular Formula | C14H10N4 |
| Molecular Weight | 234.256 |
| SMILES | C1C2C(=NC3C(C=2C#N)=CC=C(N)C=3)C=C(N)C=1 |
| Synonyms | CTX1,
501935-96-2,
AC1L8YO2,
CTX-1,
SCHEMBL17154384,
3,6-diaminoacridine-9-carbonitrile,
ZINC5487130,
HY-U00442,
9-Acridinecarbonitrile, 3,6-diamino-,
CS-0035392,
CID435038,
NSC363260,
9-Acridinecarbonitrile, 3,6-diamino-,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.262g/mol |
| Monoisotopic Mass | 234.091g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 88.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number