| CAS Number | 1909319-51-2 |
| Catalog Number | AG01C41B |
| Chemical Name | 9-(2-aminoethyl)-9H-purin-6-amine trihydrochloride |
| IUPAC Name | 9-(2-aminoethyl)purin-6-amine;trihydrochloride |
| InChI | InChI=1S/C7H10N6.3ClH/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13;;;/h3-4H,1-2,8H2,(H2,9,10,11);3*1H |
| InChI Key | VMVVHARYDMGTKH-UHFFFAOYSA-N |
| MDL Number | MFCD29762969 |
| Molecular Formula | C7H13Cl3N6 |
| Molecular Weight | 287.5773 |
| SMILES | Cl.Cl.Cl.NCCN1C2=C(C(=NC=N2)N)N=C1 |
| Synonyms | 9-(2-aminoethyl)-9H-purin-6-amine trihydrochloride,
1909319-51-2,
Z2429425718,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.573g/mol |
| Monoisotopic Mass | 286.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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