TL;DR: N1-Hydroxy-N3[(3,4-dimethoxybenzylidene)amino]guanidine (CAS 139613-36-8) is a chemical compound with molecular formula C10H14N4O3 and molecular weight 238.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
Also Known As: Aminoguanidine deriv., N1-Hydroxy-N3[(3,4-dimethoxybenzylidene)amino]guanidine, 1-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-3-hydroxy-guanidine, N''-[(E)-(3,4-Dimethoxyphenyl)methylidene]-N-hydroxycarbonohydrazonic diamide
| Molecular Formula | C10H14N4O3 |
| Molecular Weight | 238.1066 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.1066 Da |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
| SMILES | COC1=C(C=C(C=C1)/C=N/N=C(/N)\NO)OC |
| InChIKey | IHZMJPAHYZAFPW-WUXMJOGZSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-Hydroxy-N3[(3,4-dimethoxybenzylidene)amino]guanidine. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-Hydroxy-N3[(3,4-dimethoxybenzylidene)amino]guanidine. Following Lipinski's Rule of Five, N1-Hydroxy-N3[(3,4-dimethoxybenzylidene)amino]guanidine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N1-Hydroxy-N3[(3,4-dimethoxybenzylidene)amino]guanidine is 139613-36-8.
The molecular formula of N1-Hydroxy-N3[(3,4-dimethoxybenzylidene)amino]guanidine is C10H14N4O3.
The molecular weight of N1-Hydroxy-N3[(3,4-dimethoxybenzylidene)amino]guanidine is 238.1066 g/mol.
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