Benzoic acid, 4-amino-, 1,1-dimethylethyl ester
TL;DR: Benzoic acid, 4-amino-, 1,1-dimethylethyl ester (CAS 110931-77-6) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4-aminobenzoate
Also Known As: tert-Butyl 4-aminobenzoate, TERT-BUTYL-4-AMINOBENZOATE, 4-Aminobenzoic Acid tert-Butyl Ester, tert-Butyl4-aminobenzoate, T-Butyl 4-aminobenzoate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.11028 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 Da |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)N |
| InChIKey | KYORUZMJUKHKFS-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-amino-, 1,1-dimethylethyl ester
Property Insights of Benzoic acid, 4-amino-, 1,1-dimethylethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-amino-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Benzoic acid, 4-amino-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-, 1,1-dimethylethyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-amino-, 1,1-dimethylethyl ester?
The CAS number of Benzoic acid, 4-amino-, 1,1-dimethylethyl ester is 110931-77-6.
What is the molecular formula of Benzoic acid, 4-amino-, 1,1-dimethylethyl ester?
The molecular formula of Benzoic acid, 4-amino-, 1,1-dimethylethyl ester is C11H15NO2.
What is the molecular weight of Benzoic acid, 4-amino-, 1,1-dimethylethyl ester?
The molecular weight of Benzoic acid, 4-amino-, 1,1-dimethylethyl ester is 193.11028 g/mol.
Where can I buy Benzoic acid, 4-amino-, 1,1-dimethylethyl ester?
You can request a quote for Benzoic acid, 4-amino-, 1,1-dimethylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-amino-, 1,1-dimethylethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-amino-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.