2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile
TL;DR: 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile (CAS 95689-38-6) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-(dimethylamino)-1-methoxyprop-2-enylidene]propanedinitrile
Also Known As: 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile, AURORA KA-6309, (E)-2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile, 2-[3-(dimethylamino)-1-methoxy-2-propenylidene]malononitrile, dimethylaminomethoxypropenylidenemalononitrile
| Molecular Formula | C9H11N3O |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 1.00936 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.09021 |
| Heavy Atoms | 13 |
| Complexity | 285.80194 |
Chemical Identifiers
| CAS Number | 95689-38-6 |
|---|---|
| SMILES | CN(C)/C=C/C(=C(C#N)C#N)OC |
Product Overview
2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile (CAS 95689-38-6), with molecular formula C9H11N3O and molecular weight 177.09 g/mol. IUPAC: 2-[(E)-3-(dimethylamino)-1-methoxyprop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile
Property Insights of 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile
The XLogP value of 1.00936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile. Following Lipinski's Rule of Five, 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile 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 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile?
The CAS number of 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile is 95689-38-6.
What is the molecular formula of 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile?
The molecular formula of 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile is C9H11N3O.
What is the molecular weight of 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile?
The molecular weight of 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile is 177.09 g/mol.
Where can I buy 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile?
You can request a quote for 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.