ICR 423
N-(2-chloroethyl)-N'-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine;dihydrochloride
Also Known As: ICR 423|C21-H21-Cl-N4-O.2Cl-H.5/2H2-O|1,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, hydrate (2:5)|1,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride|n-(2-chloroethyl)-n'-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine dihydrochloride|N~1~-(2-Chloroethyl)-N~2~-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine--hydrogen chloride (1/2)
| Molecular Formula | C21H23Cl3N4O |
|---|---|
| Molecular Weight | 452.09375 g/mol |
| LogP | 5.0287 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.09375 |
| Monoisotopic Mass | 452.09375 |
| Heavy Atoms | 29 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 51112-66-4 |
|---|---|
| SMILES | COC1=CC2=C(C3=NC4=CC=CC=C4C(=C13)NCCNCCCl)N=CC=C2.Cl.Cl |
| InChIKey | GDIVQDBGRYCUNQ-UHFFFAOYSA-N |
Product Overview
ICR 423 (CAS 51112-66-4), with molecular formula C21H23Cl3N4O and molecular weight 452.09375 g/mol. IUPAC: N-(2-chloroethyl)-N'-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine;dihydrochloride.