TL;DR: n-Hydroxy-3-(phenylamino)propanimidamide (CAS 16387-47-6) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-anilino-N'-hydroxypropanimidamide
Also Known As: 3-anilino-N'-hydroxypropanimidamide, 3-anilino-N'-hydroxy-propanimidamide, n-Hydroxy-3-(phenylamino)propanimidamide, N'-hydroxy-3-(phenylamino)propanimidamide, aniline, N-[2-(N-hydroxy)amidinoethyl]-
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.10587 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.10587 Da |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
| SMILES | C1=CC=C(C=C1)NCCC(=NO)N |
| InChIKey | HHLIUUYYYZDKEU-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Hydroxy-3-(phenylamino)propanimidamide. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Hydroxy-3-(phenylamino)propanimidamide. Following Lipinski's Rule of Five, n-Hydroxy-3-(phenylamino)propanimidamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of n-Hydroxy-3-(phenylamino)propanimidamide is 16387-47-6.
The molecular formula of n-Hydroxy-3-(phenylamino)propanimidamide is C9H13N3O.
The molecular weight of n-Hydroxy-3-(phenylamino)propanimidamide is 179.10587 g/mol.
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