![2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile structure](/static/products/339/33901-53-0.png)
2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile
TL;DR: 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile (CAS 33901-53-0) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(dimethylamino)phenyl]methyl]propanedinitrile
Also Known As: Maybridge3_000343, 4-dimethylaminobenzylmalononitrile, IDI1_011730, 2-[4-(dimethylamino)benzyl]malononitrile, J1.759.971B
| Molecular Formula | C12H13N3 |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 1.95846 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.11095 |
| Heavy Atoms | 15 |
| Complexity | 378.36078 |
Chemical Identifiers
| CAS Number | 33901-53-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)CC(C#N)C#N |
Product Overview
2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile (CAS 33901-53-0), with molecular formula C12H13N3 and molecular weight 199.11 g/mol. IUPAC: 2-[[4-(dimethylamino)phenyl]methyl]propanedinitrile.
Chemical Property Profile of 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile
Property Insights of 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile
The XLogP value of 1.95846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile 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 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile?
The CAS number of 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile is 33901-53-0.
What is the molecular formula of 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile?
The molecular formula of 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile is C12H13N3.
What is the molecular weight of 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile?
The molecular weight of 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile is 199.11 g/mol.
Where can I buy 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile?
You can request a quote for 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(Dimethylamino)phenyl]methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.