3,3-Dimethoxypropiononitrile
TL;DR: 3,3-Dimethoxypropiononitrile (CAS 57597-62-3) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethoxypropanenitrile
Also Known As: 3,3-Dimethoxypropanenitrile, 3,3-Dimethoxypropionitrile, 3,3-Dimethoxypropiononitrile, Propanenitrile, 3,3-dimethoxy-, DMPN
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 57597-62-3 |
|---|---|
| SMILES | COC(CC#N)OC |
| InChIKey | JYHSJQNYYLGMEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethoxypropiononitrile (CAS 57597-62-3), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 3,3-dimethoxypropanenitrile.
Chemical Property Profile of 3,3-Dimethoxypropiononitrile
Property Insights of 3,3-Dimethoxypropiononitrile
The XLogP value of -0.2 indicates that 3,3-Dimethoxypropiononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.3 Ų, 3,3-Dimethoxypropiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethoxypropiononitrile 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 3,3-Dimethoxypropiononitrile?
The CAS number of 3,3-Dimethoxypropiononitrile is 57597-62-3.
What is the molecular formula of 3,3-Dimethoxypropiononitrile?
The molecular formula of 3,3-Dimethoxypropiononitrile is C5H9NO2.
What is the molecular weight of 3,3-Dimethoxypropiononitrile?
The molecular weight of 3,3-Dimethoxypropiononitrile is 115.06 g/mol.
Where can I buy 3,3-Dimethoxypropiononitrile?
You can request a quote for 3,3-Dimethoxypropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethoxypropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethoxypropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.