n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline
TL;DR: n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline (CAS 6946-37-8) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline
Also Known As: benzoic acid,3-hexoxypropan-1-amine, n,n-dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 6946-37-8 |
|---|---|
| SMILES | CC1COC(O1)C2=CC=C(C=C2)N(C)C |
| InChIKey | JJXDAGJXGOZEGJ-UHFFFAOYSA-N |
Product Overview
n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline (CAS 6946-37-8), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: N,N-dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline.
Chemical Property Profile of n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline
Property Insights of n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline. With a topological polar surface area (TPSA) of 21.7 Ų, n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline 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
Frequently Asked Questions
What is the CAS number of n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline?
The CAS number of n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline is 6946-37-8.
What is the molecular formula of n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline?
The molecular formula of n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline is C12H17NO2.
What is the molecular weight of n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline?
The molecular weight of n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline is 207.13 g/mol.
Where can I buy n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline?
You can request a quote for n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline 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-(4-methyl-1,3-dioxolan-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for n,n-Dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.