4-Isocyano-N,N-dimethylaniline
TL;DR: 4-Isocyano-N,N-dimethylaniline (CAS 7050-85-3) is a chemical compound with molecular formula C9H10N2 and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isocyano-N,N-dimethylaniline
Also Known As: 4-isocyano-N,N-dimethylaniline, TOS-BB-0803, N,N-Dimethyl-4-isocyanoaniline, 4-(dimethylamino)-phenyl isocyanide, [4-(Dimethylamino)phenyl] isocyanide
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.30339 |
| Topological Polar Surface Area | 7.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.0844 |
| Heavy Atoms | 11 |
| Complexity | 266.60938 |
Chemical Identifiers
| CAS Number | 7050-85-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)[N+]#[C-] |
Product Overview
4-Isocyano-N,N-dimethylaniline (CAS 7050-85-3), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 4-isocyano-N,N-dimethylaniline.
Chemical Property Profile of 4-Isocyano-N,N-dimethylaniline
Property Insights of 4-Isocyano-N,N-dimethylaniline
The XLogP value of 2.30339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isocyano-N,N-dimethylaniline. With a topological polar surface area (TPSA) of 7.6 Ų, 4-Isocyano-N,N-dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isocyano-N,N-dimethylaniline 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
Frequently Asked Questions
What is the CAS number of 4-Isocyano-N,N-dimethylaniline?
The CAS number of 4-Isocyano-N,N-dimethylaniline is 7050-85-3.
What is the molecular formula of 4-Isocyano-N,N-dimethylaniline?
The molecular formula of 4-Isocyano-N,N-dimethylaniline is C9H10N2.
What is the molecular weight of 4-Isocyano-N,N-dimethylaniline?
The molecular weight of 4-Isocyano-N,N-dimethylaniline is 146.08 g/mol.
Where can I buy 4-Isocyano-N,N-dimethylaniline?
You can request a quote for 4-Isocyano-N,N-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isocyano-N,N-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Isocyano-N,N-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.