Phthalic acid, monoisobutyl ester, ammonium salt
TL;DR: Phthalic acid, monoisobutyl ester, ammonium salt (CAS 101976-14-1) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azanium 2-(2-methylpropoxycarbonyl)benzoate
Also Known As: starbld0026473, Mono-isobutyl phthalate ammonium salt, NIOSH/TI2480100, Ammonium 2-(isobutoxycarbonyl)benzoate, Phthalic acid, monoisobutyl ester, ammonium salt
Technical Specifications
| Molecular Formula | C12H17NO4 |
| Molecular Weight | 239.11575 g/mol |
| XLogP | 1.2391 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.11575 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | CC(C)COC(=O)C1=CC=CC=C1C(=O)[O-].[NH4+] |
| InChIKey | FOMDNQDHJPVRSO-UHFFFAOYSA-N |
Chemical Property Profile of Phthalic acid, monoisobutyl ester, ammonium salt
Property Insights of Phthalic acid, monoisobutyl ester, ammonium salt
The XLogP value of 1.2391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalic acid, monoisobutyl ester, ammonium salt. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalic acid, monoisobutyl ester, ammonium salt. Following Lipinski's Rule of Five, Phthalic acid, monoisobutyl ester, ammonium salt has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phthalic acid, monoisobutyl ester, ammonium salt?
The CAS number of Phthalic acid, monoisobutyl ester, ammonium salt is 101976-14-1.
What is the molecular formula of Phthalic acid, monoisobutyl ester, ammonium salt?
The molecular formula of Phthalic acid, monoisobutyl ester, ammonium salt is C12H17NO4.
What is the molecular weight of Phthalic acid, monoisobutyl ester, ammonium salt?
The molecular weight of Phthalic acid, monoisobutyl ester, ammonium salt is 239.11575 g/mol.
Where can I buy Phthalic acid, monoisobutyl ester, ammonium salt?
You can request a quote for Phthalic acid, monoisobutyl ester, ammonium salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phthalic acid, monoisobutyl ester, ammonium salt?
Yes, CoreyChem provides custom synthesis services for Phthalic acid, monoisobutyl ester, ammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.