TL;DR: Ammonium, (4-hydroxybutyl)trimethyl-, chloride, carbamate (CAS 63981-83-9) is a chemical compound with molecular formula C8H19ClN2O2 and molecular weight 210.11351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-carbamoyloxybutyl(trimethyl)azanium chloride
Also Known As: 4-carbamoyloxybutyl(trimethyl)azanium chloride, Carbamic acid, 4-(trimethylammonio)butyl ester, chloride, Ammonium, (4-(carbamoyloxy)butyl)trimethyl-, chloride, Carbamic acid, 4-dimethylaminobutyl ester, methochloride, 1-Butanaminium, 4-(aminocarbonyl)oxy-N,N,N-trimethyl-, chloride
| Molecular Formula | C8H19ClN2O2 |
| Molecular Weight | 210.11351 g/mol |
| XLogP | -2.43 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.11351 Da |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
| SMILES | C[N+](C)(C)CCCCOC(=O)N.[Cl-] |
| InChIKey | DSYBKRUBFHBULI-UHFFFAOYSA-N |
The XLogP value of -2.43 indicates that Ammonium, (4-hydroxybutyl)trimethyl-, chloride, carbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.3 Ų, Ammonium, (4-hydroxybutyl)trimethyl-, chloride, carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (4-hydroxybutyl)trimethyl-, chloride, carbamate has 1 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 Ammonium, (4-hydroxybutyl)trimethyl-, chloride, carbamate is 63981-83-9.
The molecular formula of Ammonium, (4-hydroxybutyl)trimethyl-, chloride, carbamate is C8H19ClN2O2.
The molecular weight of Ammonium, (4-hydroxybutyl)trimethyl-, chloride, carbamate is 210.11351 g/mol.
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