ICR 230
bis(N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)propane-1,3-diamine);hydrate;tetrahydrochloride
Also Known As: ICR 230|C21H25Cl2N3O.2ClH.1/2H2O|1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(2-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate|C21-H25-Cl2-N3-O.2Cl-H.1/2H2-O|9-((3-(Bis(2-chloroethyl)amino)propyl)amino)-2-methoxyacridine dihydrochloride hemihydrate|Acridine, 9-((3-(bis(2-chloroethyl)amino)propyl)amino)-2-methoxy-, 2HCl hemihydrate|N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)propane-1,3-diamine hydrate tetrahydrochloride|N~1~,N~1~-Bis(2-chloroethyl)-N~3~-(2-methoxyacridin-9-yl)propane-1,3-diamine--hydrogen chloride--water (2/4/1)
| Molecular Formula | C42H56Cl8N6O3 |
|---|---|
| Molecular Weight | 972.1922 g/mol |
| LogP | 10.8189 |
| Topological Polar Surface Area | 106.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 972.1922 |
| Monoisotopic Mass | 976.18634 |
| Heavy Atoms | 59 |
| Complexity | 1928.1759 |
Chemical Identifiers
| CAS Number | 78232-12-9 |
|---|---|
| SMILES | COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCN(CCCl)CCCl.COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCN(CCCl)CCCl.O.Cl.Cl.Cl.Cl |
Product Overview
ICR 230 (CAS 78232-12-9), with molecular formula C42H56Cl8N6O3 and molecular weight 972.1922 g/mol. IUPAC: bis(N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)propane-1,3-diamine);hydrate;tetrahydrochloride.