2,6-二甲基-4-吗啉丙腈
TL;DR: 2,6-二甲基-4-吗啉丙腈 (CAS 84145-73-3) is a chemical compound with molecular formula C9H16N2O and molecular weight 168.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二甲基-4-吗啉丙腈
3-(2,6-dimethylmorpholin-4-yl)propanenitrile
Also Known As: 3-(2,6-dimethylmorpholin-4-yl)propanenitrile, 2,6-Dimethyl-4-morpholinepropiononitrile, 4-Morpholinepropanenitrile,2,6-dimethyl-, 4-morpholinepropanenitrile, 2,6-dimethyl-, 2,6-dimethyl-4-morpholinepropanonitrile
| Molecular Formula | C9H16N2O |
|---|---|
| Molecular Weight | 168.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.12627 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 84145-73-3 |
|---|---|
| SMILES | CC1CN(CC(O1)C)CCC#N |
| InChIKey | BEJUPEKPJOPODY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二甲基-4-吗啉丙腈 (CAS 84145-73-3), with molecular formula C9H16N2O and molecular weight 168.13 g/mol. IUPAC: 3-(2,6-dimethylmorpholin-4-yl)propanenitrile.
Chemical Property Profile of 2,6-二甲基-4-吗啉丙腈
Property Insights of 2,6-二甲基-4-吗啉丙腈
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二甲基-4-吗啉丙腈. With a topological polar surface area (TPSA) of 36.3 Ų, 2,6-二甲基-4-吗啉丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二甲基-4-吗啉丙腈 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 2,6-二甲基-4-吗啉丙腈?
The CAS number of 2,6-二甲基-4-吗啉丙腈 is 84145-73-3.
What is the molecular formula of 2,6-二甲基-4-吗啉丙腈?
The molecular formula of 2,6-二甲基-4-吗啉丙腈 is C9H16N2O.
What is the molecular weight of 2,6-二甲基-4-吗啉丙腈?
The molecular weight of 2,6-二甲基-4-吗啉丙腈 is 168.13 g/mol.
Where can I buy 2,6-二甲基-4-吗啉丙腈?
You can request a quote for 2,6-二甲基-4-吗啉丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二甲基-4-吗啉丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二甲基-4-吗啉丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.