2-((1-Naphthylamino)methylene)malononitrile
TL;DR: 2-((1-Naphthylamino)methylene)malononitrile (CAS 68313-58-6) is a chemical compound with molecular formula C14H9N3 and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(naphthalen-1-ylamino)methylidene]propanedinitrile
Also Known As: 2-((1-Naphthylamino)methylene)malononitrile, 2-[(1-naphthylamino)methylene]malononitrile, 2-[(naphthalen-1-ylamino)methylidene]propanedinitrile, 2-{[(naphthalen-1-yl)amino]methylidene}propanedinitrile, 661-578-3
| Molecular Formula | C14H9N3 |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 3.18276 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.07965 |
| Heavy Atoms | 17 |
| Complexity | 635.70703 |
Chemical Identifiers
| CAS Number | 68313-58-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2NC=C(C#N)C#N |
Product Overview
2-((1-Naphthylamino)methylene)malononitrile (CAS 68313-58-6), with molecular formula C14H9N3 and molecular weight 219.08 g/mol. IUPAC: 2-[(naphthalen-1-ylamino)methylidene]propanedinitrile.
Chemical Property Profile of 2-((1-Naphthylamino)methylene)malononitrile
Property Insights of 2-((1-Naphthylamino)methylene)malononitrile
The XLogP value of 3.18276 indicates that 2-((1-Naphthylamino)methylene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, 2-((1-Naphthylamino)methylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1-Naphthylamino)methylene)malononitrile 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 2-((1-Naphthylamino)methylene)malononitrile?
The CAS number of 2-((1-Naphthylamino)methylene)malononitrile is 68313-58-6.
What is the molecular formula of 2-((1-Naphthylamino)methylene)malononitrile?
The molecular formula of 2-((1-Naphthylamino)methylene)malononitrile is C14H9N3.
What is the molecular weight of 2-((1-Naphthylamino)methylene)malononitrile?
The molecular weight of 2-((1-Naphthylamino)methylene)malononitrile is 219.08 g/mol.
Where can I buy 2-((1-Naphthylamino)methylene)malononitrile?
You can request a quote for 2-((1-Naphthylamino)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-Naphthylamino)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Naphthylamino)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.