Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-
TL;DR: Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)- (CAS 37672-97-2) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-2-(dimethylamino)acetonitrile
Also Known As: (3,4-Dimethoxyphenyl)dimethylaminoacetonitrile, 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)acetonitrile, 2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile, ACETONITRILE, (3,4-DIMETHOXYPHENYL)(DIMETHYLAMINO)-, 3-(2,4-Dihydroxy-phenylazo)-benzolsulfonsaeure
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 37672-97-2 |
|---|---|
| SMILES | CN(C)C(C#N)C1=CC(=C(C=C1)OC)OC |
| InChIKey | WXKMESAFVQHWPP-UHFFFAOYSA-N |
Product Overview
Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)- (CAS 37672-97-2), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)acetonitrile.
Chemical Property Profile of Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-
Property Insights of Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-. With a topological polar surface area (TPSA) of 45.5 Ų, Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)- has 0 hydrogen bond donor(s) and 4 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 Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-?
The CAS number of Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)- is 37672-97-2.
What is the molecular formula of Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-?
The molecular formula of Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)- is C12H16N2O2.
What is the molecular weight of Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-?
The molecular weight of Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)- is 220.12 g/mol.
Where can I buy Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-?
You can request a quote for Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.