Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)
TL;DR: Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1) (CAS 68298-97-5) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;4-tert-butylbenzoic acid
Also Known As: p-tert-Butylbenzoic acid, monoethanolamine salt, 2-aminoethanol; 4-tert-butylbenzoic acid, 2-aminoethanol,4-tert-butylbenzoic acid, Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1), p-tert-Butylbenzoic acid monoethanolamine salt
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 1.62 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 68298-97-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)O.C(CO)N |
| InChIKey | GMLCLKMTJFFVMS-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1) (CAS 68298-97-5), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: 2-aminoethanol;4-tert-butylbenzoic acid.
Chemical Property Profile of Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)
Property Insights of Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)
The XLogP value of 1.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1). The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1). Following Lipinski's Rule of Five, Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1) has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)?
The CAS number of Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1) is 68298-97-5.
What is the molecular formula of Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)?
The molecular formula of Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1) is C13H21NO3.
What is the molecular weight of Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)?
The molecular weight of Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1) is 239.15 g/mol.
Where can I buy Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)?
You can request a quote for Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.