TL;DR: Azanium;prop-2-enamide;prop-2-enenitrile;prop-2-enoate (CAS 102082-95-1) is a chemical compound with molecular formula C9H15N3O3 and molecular weight 213.11134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azanium;prop-2-enamide;prop-2-enenitrile;prop-2-enoate
Also Known As: 2-Propenoic acid, ammonium salt, polymer with 2-propenamide and 2-propenenitrile, azanium;prop-2-enamide;prop-2-enenitrile;prop-2-enoate, (C3-H5-N-O.C3-H4-O2.C3-H3-N.H3-N)x-, azanium; prop-2-enamide; prop-2-enenitrile; prop-2-enoate, 2-Propenoic acid, ammonium salt (1:1), polymer with 2-propenamide and 2-propenenitrile
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H15N3O3 |
| Molecular Weight | 213.11134 g/mol |
| XLogP | -0.34782 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.11134 Da |
| Heavy Atoms | 15 |
| Complexity | 163.0 |
| SMILES | C=CC#N.C=CC(=O)N.C=CC(=O)[O-].[NH4+] |
| InChIKey | NDXOWKYGRCOHDJ-UHFFFAOYSA-N |
The XLogP value of -0.34782 indicates that Azanium;prop-2-enamide;prop-2-enenitrile;prop-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Azanium;prop-2-enamide;prop-2-enenitrile;prop-2-enoate. Following Lipinski's Rule of Five, Azanium;prop-2-enamide;prop-2-enenitrile;prop-2-enoate has 2 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 Azanium;prop-2-enamide;prop-2-enenitrile;prop-2-enoate is 102082-95-1.
The molecular formula of Azanium;prop-2-enamide;prop-2-enenitrile;prop-2-enoate is C9H15N3O3.
The molecular weight of Azanium;prop-2-enamide;prop-2-enenitrile;prop-2-enoate is 213.11134 g/mol.
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