N,N-Dimethyl-4-isopropylaniline
TL;DR: N,N-Dimethyl-4-isopropylaniline (CAS 4139-78-0) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-propan-2-ylaniline
Also Known As: N,N-Dimethyl-4-isopropylaniline, N,N-dimethyl-4-propan-2-ylaniline, Cumidine, N,N-dimethyl-, 4-Isopropyl-N,N-dimethylaniline, Benzenamine,N,N-dimethyl-4- -
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 4139-78-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N(C)C |
| InChIKey | MJRUTYCVCLZWSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Dimethyl-4-isopropylaniline (CAS 4139-78-0), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: N,N-dimethyl-4-propan-2-ylaniline.
Chemical Property Profile of N,N-Dimethyl-4-isopropylaniline
Property Insights of N,N-Dimethyl-4-isopropylaniline
The XLogP value of 3.6 indicates that N,N-Dimethyl-4-isopropylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Dimethyl-4-isopropylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-4-isopropylaniline 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 N,N-Dimethyl-4-isopropylaniline?
The CAS number of N,N-Dimethyl-4-isopropylaniline is 4139-78-0.
What is the molecular formula of N,N-Dimethyl-4-isopropylaniline?
The molecular formula of N,N-Dimethyl-4-isopropylaniline is C11H17N.
What is the molecular weight of N,N-Dimethyl-4-isopropylaniline?
The molecular weight of N,N-Dimethyl-4-isopropylaniline is 163.14 g/mol.
Where can I buy N,N-Dimethyl-4-isopropylaniline?
You can request a quote for N,N-Dimethyl-4-isopropylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-4-isopropylaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-4-isopropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.