TL;DR: Phosphonic acid, (m-ethylaminophenyl)- (CAS 100860-49-9) is a chemical compound with molecular formula C8H12NO3P and molecular weight 201.05548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(ethylamino)phenyl]phosphonic acid
Also Known As: (m-Ethylaminophenyl)phosphonic acid, Phosphonic acid, (m-ethylaminophenyl)-, [3-(ethylamino)phenyl]phosphonic acid, 4-16-00-01128 (Beilstein Handbook Reference), BRN 3257525
| Molecular Formula | C8H12NO3P |
| Molecular Weight | 201.05548 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.05548 Da |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
| SMILES | CCNC1=CC(=CC=C1)P(=O)(O)O |
| InChIKey | VIQKVQWMIHTURR-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (m-ethylaminophenyl)-. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (m-ethylaminophenyl)-. Following Lipinski's Rule of Five, Phosphonic acid, (m-ethylaminophenyl)- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphonic acid, (m-ethylaminophenyl)- is 100860-49-9.
The molecular formula of Phosphonic acid, (m-ethylaminophenyl)- is C8H12NO3P.
The molecular weight of Phosphonic acid, (m-ethylaminophenyl)- is 201.05548 g/mol.
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