![{[Benzylamino]methylene}methane-1,1-dicarbonitrile structure](/static/products/149/14918-98-0.png)
{[Benzylamino]methylene}methane-1,1-dicarbonitrile
TL;DR: {[Benzylamino]methylene}methane-1,1-dicarbonitrile (CAS 14918-98-0) is a chemical compound with molecular formula C11H9N3 and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(benzylamino)methylidene]propanedinitrile
Also Known As: ZERO/003119, [(benzylamino)methylene]malononitrile, 2-[(benzylamino)methylidene]propanedinitrile, {[benzylamino]methylene}methane-1,1-dicarbonitrile, 2-(benzylamino-methylene)-malononitrile
| Molecular Formula | C11H9N3 |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.07965 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 14918-98-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC=C(C#N)C#N |
| InChIKey | UVAOTWTZTGQRNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
{[Benzylamino]methylene}methane-1,1-dicarbonitrile (CAS 14918-98-0), with molecular formula C11H9N3 and molecular weight 183.08 g/mol. IUPAC: 2-[(benzylamino)methylidene]propanedinitrile.
Chemical Property Profile of {[Benzylamino]methylene}methane-1,1-dicarbonitrile
Property Insights of {[Benzylamino]methylene}methane-1,1-dicarbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[Benzylamino]methylene}methane-1,1-dicarbonitrile. With a topological polar surface area (TPSA) of 59.6 Ų, {[Benzylamino]methylene}methane-1,1-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {[Benzylamino]methylene}methane-1,1-dicarbonitrile has 1 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 {[Benzylamino]methylene}methane-1,1-dicarbonitrile?
The CAS number of {[Benzylamino]methylene}methane-1,1-dicarbonitrile is 14918-98-0.
What is the molecular formula of {[Benzylamino]methylene}methane-1,1-dicarbonitrile?
The molecular formula of {[Benzylamino]methylene}methane-1,1-dicarbonitrile is C11H9N3.
What is the molecular weight of {[Benzylamino]methylene}methane-1,1-dicarbonitrile?
The molecular weight of {[Benzylamino]methylene}methane-1,1-dicarbonitrile is 183.08 g/mol.
Where can I buy {[Benzylamino]methylene}methane-1,1-dicarbonitrile?
You can request a quote for {[Benzylamino]methylene}methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[Benzylamino]methylene}methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for {[Benzylamino]methylene}methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.