Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester
TL;DR: Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester (CAS 54634-94-5) is a chemical compound with molecular formula C17H24N2O3 and molecular weight 304.17868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexyl N-[3-(isocyanatomethyl)phenyl]carbamate
Also Known As: Toluenediisocyanate 2-ethylhexyl carbamate, 2-Ethylhexyl (3-isocyanatomethylphenyl)-carbamate, 2-Ethylhexyl (3-isocyanatomethylphenyl)carbamate, EC 259-265-8, N-(3-Isocyanatomethylphenyl)-2-ethylhexyl carbamate
Technical Specifications
| Molecular Formula | C17H24N2O3 |
| Molecular Weight | 304.17868 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 304.17868 Da |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
| SMILES | CCCCC(CC)COC(=O)NC1=CC=CC(=C1)CN=C=O |
| InChIKey | HZXOAHQYDYYYQI-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester
Property Insights of Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester
The XLogP value of 5.4 indicates that Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester. Following Lipinski's Rule of Five, Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester?
The CAS number of Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester is 54634-94-5.
What is the molecular formula of Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester?
The molecular formula of Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester is C17H24N2O3.
What is the molecular weight of Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester?
The molecular weight of Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester is 304.17868 g/mol.
Where can I buy Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester?
You can request a quote for Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.