Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)
TL;DR: Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1) (CAS 68298-99-7) is a chemical compound with molecular formula C12H27NO3 and molecular weight 233.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;2,2-dimethyloctanoic acid
Also Known As: 2-aminoethanol,2,2-dimethyloctanoic acid, 2-aminoethanol; 2,2-dimethyloctanoic acid, Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1), 2,2-Dimethyloctanoic acid, compound with 2-aminoethanol (1:1), 2,2-Dimethyloctanoic acid--2-aminoethan-1-ol (1/1)
| Molecular Formula | C12H27NO3 |
|---|---|
| Molecular Weight | 233.20 g/mol |
| LogP | 2.005 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 233.1991 |
| Heavy Atoms | 16 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 68298-99-7 |
|---|---|
| SMILES | CCCCCCC(C)(C)C(=O)O.C(CO)N |
| InChIKey | DZSYKIJJEKAQER-UHFFFAOYSA-N |
Product Overview
Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1) (CAS 68298-99-7), with molecular formula C12H27NO3 and molecular weight 233.20 g/mol. IUPAC: 2-aminoethanol;2,2-dimethyloctanoic acid.
Chemical Property Profile of Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)
Property Insights of Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)
The XLogP value of 2.005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1). The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1). Following Lipinski's Rule of Five, Octanoic acid, 2,2-dimethyl-, 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 Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)?
The CAS number of Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1) is 68298-99-7.
What is the molecular formula of Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)?
The molecular formula of Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1) is C12H27NO3.
What is the molecular weight of Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)?
The molecular weight of Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1) is 233.20 g/mol.
Where can I buy Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)?
You can request a quote for Octanoic acid, 2,2-dimethyl-, 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 Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.