Propanedinitrile, (1-methylethenyl)(phenylmethyl)-
TL;DR: Propanedinitrile, (1-methylethenyl)(phenylmethyl)- (CAS 69564-95-0) is a chemical compound with molecular formula C13H12N2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-2-prop-1-en-2-ylpropanedinitrile
Also Known As: Isopropenylbenzylmalononitrile, 2-Benzyl-2-isopropenylmalononitrile, 2-Benzyl-2-isopropenylmalononitrile #, Propanedinitrile, (1-methylethenyl)(phenylmethyl)-, Benzyl(prop-1-en-2-yl)propanedinitrile
| Molecular Formula | C13H12N2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.10005 |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 69564-95-0 |
|---|---|
| SMILES | CC(=C)C(CC1=CC=CC=C1)(C#N)C#N |
| InChIKey | NNXWNEOPPKGQET-UHFFFAOYSA-N |
Product Overview
Propanedinitrile, (1-methylethenyl)(phenylmethyl)- (CAS 69564-95-0), with molecular formula C13H12N2 and molecular weight 196.10 g/mol. IUPAC: 2-benzyl-2-prop-1-en-2-ylpropanedinitrile.
Chemical Property Profile of Propanedinitrile, (1-methylethenyl)(phenylmethyl)-
Property Insights of Propanedinitrile, (1-methylethenyl)(phenylmethyl)-
The XLogP value of 3.1 indicates that Propanedinitrile, (1-methylethenyl)(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Propanedinitrile, (1-methylethenyl)(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, (1-methylethenyl)(phenylmethyl)- has 0 hydrogen bond donor(s) and 2 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 Propanedinitrile, (1-methylethenyl)(phenylmethyl)-?
The CAS number of Propanedinitrile, (1-methylethenyl)(phenylmethyl)- is 69564-95-0.
What is the molecular formula of Propanedinitrile, (1-methylethenyl)(phenylmethyl)-?
The molecular formula of Propanedinitrile, (1-methylethenyl)(phenylmethyl)- is C13H12N2.
What is the molecular weight of Propanedinitrile, (1-methylethenyl)(phenylmethyl)-?
The molecular weight of Propanedinitrile, (1-methylethenyl)(phenylmethyl)- is 196.10 g/mol.
Where can I buy Propanedinitrile, (1-methylethenyl)(phenylmethyl)-?
You can request a quote for Propanedinitrile, (1-methylethenyl)(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, (1-methylethenyl)(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, (1-methylethenyl)(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.