(4-Methoxy-benzylamino)-acetonitrile
TL;DR: (4-Methoxy-benzylamino)-acetonitrile (CAS 149399-58-6) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methoxyphenyl)methylamino]acetonitrile
Also Known As: (4-Methoxy-benzylamino)-acetonitrile, 2-(4-Methoxybenzylamino)acetonitrile, 2-((4-Methoxybenzyl)amino)acetonitrile, (4-Methoxybenzylamino)acetonitrile, [(4-Methoxybenzyl)amino]acetonitrile
Technical Specifications
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.09496 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.09496 Da |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
| SMILES | COC1=CC=C(C=C1)CNCC#N |
| InChIKey | YLTXKLKHLKFNLB-UHFFFAOYSA-N |
Chemical Property Profile of (4-Methoxy-benzylamino)-acetonitrile
Property Insights of (4-Methoxy-benzylamino)-acetonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxy-benzylamino)-acetonitrile. With a topological polar surface area (TPSA) of 45.1 Ų, (4-Methoxy-benzylamino)-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methoxy-benzylamino)-acetonitrile 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 (4-Methoxy-benzylamino)-acetonitrile?
The CAS number of (4-Methoxy-benzylamino)-acetonitrile is 149399-58-6.
What is the molecular formula of (4-Methoxy-benzylamino)-acetonitrile?
The molecular formula of (4-Methoxy-benzylamino)-acetonitrile is C10H12N2O.
What is the molecular weight of (4-Methoxy-benzylamino)-acetonitrile?
The molecular weight of (4-Methoxy-benzylamino)-acetonitrile is 176.09496 g/mol.
Where can I buy (4-Methoxy-benzylamino)-acetonitrile?
You can request a quote for (4-Methoxy-benzylamino)-acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Methoxy-benzylamino)-acetonitrile?
Yes, CoreyChem provides custom synthesis services for (4-Methoxy-benzylamino)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.