Benzeneacetonitrile, 2-(1,1-dimethylethyl)-
TL;DR: Benzeneacetonitrile, 2-(1,1-dimethylethyl)- (CAS 72269-54-6) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-tert-butylphenyl)acetonitrile
Also Known As: o-tert-Butylbenzyl cyanide, 2-(2-tert-butylphenyl)acetonitrile, 2- benzeneacetonitrile, Benzeneacetonitrile, 2-(1,1-dimethylethyl)-, (2-tert-Butylphenyl)acetonitrile
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.05018 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 325.7131 |
Chemical Identifiers
| CAS Number | 72269-54-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1CC#N |
Product Overview
Benzeneacetonitrile, 2-(1,1-dimethylethyl)- (CAS 72269-54-6), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2-(2-tert-butylphenyl)acetonitrile.
Chemical Property Profile of Benzeneacetonitrile, 2-(1,1-dimethylethyl)-
Property Insights of Benzeneacetonitrile, 2-(1,1-dimethylethyl)-
The XLogP value of 3.05018 indicates that Benzeneacetonitrile, 2-(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Benzeneacetonitrile, 2-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, 2-(1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 1 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 Benzeneacetonitrile, 2-(1,1-dimethylethyl)-?
The CAS number of Benzeneacetonitrile, 2-(1,1-dimethylethyl)- is 72269-54-6.
What is the molecular formula of Benzeneacetonitrile, 2-(1,1-dimethylethyl)-?
The molecular formula of Benzeneacetonitrile, 2-(1,1-dimethylethyl)- is C12H15N.
What is the molecular weight of Benzeneacetonitrile, 2-(1,1-dimethylethyl)-?
The molecular weight of Benzeneacetonitrile, 2-(1,1-dimethylethyl)- is 173.12 g/mol.
Where can I buy Benzeneacetonitrile, 2-(1,1-dimethylethyl)-?
You can request a quote for Benzeneacetonitrile, 2-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, 2-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, 2-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.