4-二甲氨基亚苄基丙二腈
TL;DR: 4-二甲氨基亚苄基丙二腈 (CAS 2826-28-0) is a chemical compound with molecular formula C12H11N3 and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-二甲氨基亚苄基丙二腈
2-[[4-(dimethylamino)phenyl]methylidene]propanedinitrile
Also Known As: PigmentYellow3, 2-(4-(Dimethylamino)benzylidene)malononitrile, Maybridge1_005565, DivK1c_001853, 4-Dimethylaminobenzylidenemalononitrile
| Molecular Formula | C12H11N3 |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.09529 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 2826-28-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C#N |
| InChIKey | IYNONQVNLZATDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-二甲氨基亚苄基丙二腈 (CAS 2826-28-0), with molecular formula C12H11N3 and molecular weight 197.10 g/mol. IUPAC: 2-[[4-(dimethylamino)phenyl]methylidene]propanedinitrile.
Chemical Property Profile of 4-二甲氨基亚苄基丙二腈
Property Insights of 4-二甲氨基亚苄基丙二腈
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-二甲氨基亚苄基丙二腈. With a topological polar surface area (TPSA) of 50.8 Ų, 4-二甲氨基亚苄基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-二甲氨基亚苄基丙二腈 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 4-二甲氨基亚苄基丙二腈?
The CAS number of 4-二甲氨基亚苄基丙二腈 is 2826-28-0.
What is the molecular formula of 4-二甲氨基亚苄基丙二腈?
The molecular formula of 4-二甲氨基亚苄基丙二腈 is C12H11N3.
What is the molecular weight of 4-二甲氨基亚苄基丙二腈?
The molecular weight of 4-二甲氨基亚苄基丙二腈 is 197.10 g/mol.
Where can I buy 4-二甲氨基亚苄基丙二腈?
You can request a quote for 4-二甲氨基亚苄基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-二甲氨基亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 4-二甲氨基亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.