![2-[Benzyl(methyl)amino]butanoic acid structure](/static/products/1029/1029954-87-7.webp)
2-[Benzyl(methyl)amino]butanoic acid
TL;DR: 2-[Benzyl(methyl)amino]butanoic acid (CAS 1029954-87-7) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[benzyl(methyl)amino]butanoic acid
Also Known As: 2-[benzyl(methyl)amino]butanoic acid, 2-benzyl(methyl)aminobutanoic acid, 2-[benzyl(methyl)amino]butanoicacid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
| SMILES | CCC(C(=O)O)N(C)CC1=CC=CC=C1 |
| InChIKey | DZCZECKTQMMTSB-UHFFFAOYSA-N |
Chemical Property Profile of 2-[Benzyl(methyl)amino]butanoic acid
Property Insights of 2-[Benzyl(methyl)amino]butanoic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Benzyl(methyl)amino]butanoic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 2-[Benzyl(methyl)amino]butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Benzyl(methyl)amino]butanoic acid 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 2-[Benzyl(methyl)amino]butanoic acid?
The CAS number of 2-[Benzyl(methyl)amino]butanoic acid is 1029954-87-7.
What is the molecular formula of 2-[Benzyl(methyl)amino]butanoic acid?
The molecular formula of 2-[Benzyl(methyl)amino]butanoic acid is C12H17NO2.
What is the molecular weight of 2-[Benzyl(methyl)amino]butanoic acid?
The molecular weight of 2-[Benzyl(methyl)amino]butanoic acid is 207.12593 g/mol.
Where can I buy 2-[Benzyl(methyl)amino]butanoic acid?
You can request a quote for 2-[Benzyl(methyl)amino]butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[Benzyl(methyl)amino]butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[Benzyl(methyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.