Benzeneethanamine, ethanedioate (1:1)
TL;DR: Benzeneethanamine, ethanedioate (1:1) (CAS 1185039-21-7) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
oxalic acid;2-phenylethanamine
Also Known As: oxalic acid;2-phenylethanamine, oxalic acid; 2-phenylethanamine, Benzeneethanamine, ethanedioate (1:1), IUPAC: Oxalic Acid; 2-phenylethanamine
Technical Specifications
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.08446 g/mol |
| XLogP | 0.3434 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.08446 Da |
| Heavy Atoms | 15 |
| Complexity | 137.0 |
| SMILES | C1=CC=C(C=C1)CCN.C(=O)(C(=O)O)O |
| InChIKey | KUMHULPUCPMKBM-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneethanamine, ethanedioate (1:1)
Property Insights of Benzeneethanamine, ethanedioate (1:1)
The XLogP value of 0.3434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, ethanedioate (1:1). The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanamine, ethanedioate (1:1). Following Lipinski's Rule of Five, Benzeneethanamine, ethanedioate (1:1) has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzeneethanamine, ethanedioate (1:1)?
The CAS number of Benzeneethanamine, ethanedioate (1:1) is 1185039-21-7.
What is the molecular formula of Benzeneethanamine, ethanedioate (1:1)?
The molecular formula of Benzeneethanamine, ethanedioate (1:1) is C10H13NO4.
What is the molecular weight of Benzeneethanamine, ethanedioate (1:1)?
The molecular weight of Benzeneethanamine, ethanedioate (1:1) is 211.08446 g/mol.
Where can I buy Benzeneethanamine, ethanedioate (1:1)?
You can request a quote for Benzeneethanamine, ethanedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneethanamine, ethanedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for Benzeneethanamine, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.