4-(Dimethylamino)phenyl isocyanate
TL;DR: 4-(Dimethylamino)phenyl isocyanate (CAS 16315-59-6) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-isocyanato-N,N-dimethylaniline
Also Known As: 4-isocyanato-N,N-dimethylaniline, 4-(Dimethylamino)phenyl isocyanate, Benzofuran-6-ol, 4-DIMETHYLAMINOPHENYL ISOCYANATE, 4-Dimethlaminophenylisocyanate
Technical Specifications
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.07932 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.07932 Da |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
| SMILES | CN(C)C1=CC=C(C=C1)N=C=O |
| InChIKey | YZEHDFBYSOKBED-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Dimethylamino)phenyl isocyanate
Property Insights of 4-(Dimethylamino)phenyl isocyanate
The XLogP value of 3.4 indicates that 4-(Dimethylamino)phenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 4-(Dimethylamino)phenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)phenyl isocyanate has 0 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-(Dimethylamino)phenyl isocyanate?
The CAS number of 4-(Dimethylamino)phenyl isocyanate is 16315-59-6.
What is the molecular formula of 4-(Dimethylamino)phenyl isocyanate?
The molecular formula of 4-(Dimethylamino)phenyl isocyanate is C9H10N2O.
What is the molecular weight of 4-(Dimethylamino)phenyl isocyanate?
The molecular weight of 4-(Dimethylamino)phenyl isocyanate is 162.07932 g/mol.
Where can I buy 4-(Dimethylamino)phenyl isocyanate?
You can request a quote for 4-(Dimethylamino)phenyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Dimethylamino)phenyl isocyanate?
Yes, CoreyChem provides custom synthesis services for 4-(Dimethylamino)phenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.