| CAS Number | 65944-23-2 |
| Catalog Number | AG00FAB2(AGN-PC-0KJZZP) |
| Chemical Name | Acridin-9-Amine Hemihydrate |
| IUPAC Name | acridin-9-amine;hydrate |
| InChI | InChI=1S/2C13H10N2.H2O/c2*14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h2*1-8H,(H2,14,15);1H2 |
| InChI Key | SPWFQHCZHQCDAG-UHFFFAOYSA-N |
| MDL Number | MFCD28040496 |
| Molecular Formula | C26H22N4O |
| Molecular Weight | 406.4791 |
| SMILES | NC1=C(C=CC=C2)C2=NC3=CC=CC=C31.NC4=C(C=CC=C5)C5=NC6=CC=CC=C64.[H]O[H] |
| Synonyms | 9-Acridinamine, hydrate (2:1),
65944-23-2,
AC1MC3JR,
CTK1J5532,
DTXSID10369099,
9-Aminoacridine hemihydrate, 98%,
AKOS030240163,
OR310634,
Acridin-9-amine Hydrate,
9-Aminoacridine hemihydrate,
9-Acridinamine, hemihydrate,
CID2723763,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.489g/mol |
| Monoisotopic Mass | 406.179g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number