1-(1-Isocyanoethyl)-3-methylbenzene
TL;DR: 1-(1-Isocyanoethyl)-3-methylbenzene (CAS 1041635-06-6) is a chemical compound with molecular formula C10H11N and molecular weight 145.08914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-isocyanoethyl)-3-methylbenzene
Also Known As: 1-(1-isocyanoethyl)-3-methylbenzene, 1-(1-isocyanoethyl)-3-methyl-benzene
Technical Specifications
| Molecular Formula | C10H11N |
| Molecular Weight | 145.08914 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.08914 Da |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
| SMILES | CC1=CC(=CC=C1)C(C)[N+]#[C-] |
| InChIKey | WYOBEMZAYHDHPT-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Isocyanoethyl)-3-methylbenzene
Property Insights of 1-(1-Isocyanoethyl)-3-methylbenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Isocyanoethyl)-3-methylbenzene. With a topological polar surface area (TPSA) of 4.4 Ų, 1-(1-Isocyanoethyl)-3-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanoethyl)-3-methylbenzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(1-Isocyanoethyl)-3-methylbenzene?
The CAS number of 1-(1-Isocyanoethyl)-3-methylbenzene is 1041635-06-6.
What is the molecular formula of 1-(1-Isocyanoethyl)-3-methylbenzene?
The molecular formula of 1-(1-Isocyanoethyl)-3-methylbenzene is C10H11N.
What is the molecular weight of 1-(1-Isocyanoethyl)-3-methylbenzene?
The molecular weight of 1-(1-Isocyanoethyl)-3-methylbenzene is 145.08914 g/mol.
Where can I buy 1-(1-Isocyanoethyl)-3-methylbenzene?
You can request a quote for 1-(1-Isocyanoethyl)-3-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Isocyanoethyl)-3-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-(1-Isocyanoethyl)-3-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.