TL;DR: 1,3-Propanediamine, N,N-dimethyl-N'-(4-methyl-1-nitro-9-acridinyl)-, N-oxide, dihydrochloride (CAS 176915-30-3) is a chemical compound with molecular formula C19H24Cl2N4O3 and molecular weight 426.12256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(dimethylamino)propyl]-N-(4-methyl-1-nitroacridin-9-yl)hydroxylamine;dihydrochloride
Also Known As: 1,3-Propanediamine, N,N-dimethyl-N'-(4-methyl-1-nitro-9-acridinyl)-, N-oxide, dihydrochloride, N,N-Dimethyl-N'-(4-methyl-1-nitro-9-acridinyl)-1,3-propanediamine N-oxide dihydrochloride, 9-((3-(Dimethylamino)propyl)amino)-4-methyl-1-nitroacridine N(sup 3)-oxide dihydrochloride, N-[3-(dimethylamino)propyl]-N-(4-methyl-1-nitroacridin-9-yl)hydroxylamine;dihydrochloride, N-[3-(dimethylamino)propyl]-N-(4-methyl-1-nitroacridin-9-yl)hydroxylamine dihydrochloride
| Molecular Formula | C19H24Cl2N4O3 |
| Molecular Weight | 426.12256 g/mol |
| XLogP | 4.59552 |
| Topological Polar Surface Area (TPSA) | 85.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.12256 Da |
| Heavy Atoms | 28 |
| Complexity | 484.0 |
| SMILES | CC1=CC=C(C2=C(C3=CC=CC=C3N=C12)N(CCCN(C)C)O)[N+](=O)[O-].Cl.Cl |
| InChIKey | XQKFDVSXTRPEEA-UHFFFAOYSA-N |
The XLogP value of 4.59552 indicates that 1,3-Propanediamine, N,N-dimethyl-N'-(4-methyl-1-nitro-9-acridinyl)-, N-oxide, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediamine, N,N-dimethyl-N'-(4-methyl-1-nitro-9-acridinyl)-, N-oxide, dihydrochloride. Following Lipinski's Rule of Five, 1,3-Propanediamine, N,N-dimethyl-N'-(4-methyl-1-nitro-9-acridinyl)-, N-oxide, dihydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Propanediamine, N,N-dimethyl-N'-(4-methyl-1-nitro-9-acridinyl)-, N-oxide, dihydrochloride is 176915-30-3.
The molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-(4-methyl-1-nitro-9-acridinyl)-, N-oxide, dihydrochloride is C19H24Cl2N4O3.
The molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-(4-methyl-1-nitro-9-acridinyl)-, N-oxide, dihydrochloride is 426.12256 g/mol.
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