N,N-Diallylaniline
TL;DR: N,N-Diallylaniline (CAS 6247-00-3) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(prop-2-enyl)aniline
Also Known As: N,N-Diallylaniline, diallylaniline, Aniline, N,N-diallyl-, diallylphenylamine, Phenyldiallylamine
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 6247-00-3 |
|---|---|
| SMILES | C=CCN(CC=C)C1=CC=CC=C1 |
| InChIKey | CJIPLMHXHKPZGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diallylaniline (CAS 6247-00-3), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: N,N-bis(prop-2-enyl)aniline.
Chemical Property Profile of N,N-Diallylaniline
Property Insights of N,N-Diallylaniline
The XLogP value of 3.3 indicates that N,N-Diallylaniline 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-Diallylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diallylaniline 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-Diallylaniline?
The CAS number of N,N-Diallylaniline is 6247-00-3.
What is the molecular formula of N,N-Diallylaniline?
The molecular formula of N,N-Diallylaniline is C12H15N.
What is the molecular weight of N,N-Diallylaniline?
The molecular weight of N,N-Diallylaniline is 173.12 g/mol.
Where can I buy N,N-Diallylaniline?
You can request a quote for N,N-Diallylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diallylaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diallylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.