2-Benzyl-2-methyl-3-butenitrile
TL;DR: 2-Benzyl-2-methyl-3-butenitrile (CAS 97384-48-0) is a chemical compound with molecular formula C12H13N and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-2-methylbut-3-enenitrile
Also Known As: agrumen nitrile, 2-Benzyl-2-methyl-3-butenitrile, 2-Benzyl-2-methylbut-3-enenitrile, CITROWANILB, 2-benzyl-2-methyl-3-butenenitrile
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 2.94498 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 320.72775 |
Chemical Identifiers
| CAS Number | 97384-48-0 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)(C=C)C#N |
Product Overview
2-Benzyl-2-methyl-3-butenitrile (CAS 97384-48-0), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 2-benzyl-2-methylbut-3-enenitrile.
Chemical Property Profile of 2-Benzyl-2-methyl-3-butenitrile
Property Insights of 2-Benzyl-2-methyl-3-butenitrile
The XLogP value of 2.94498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-2-methyl-3-butenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Benzyl-2-methyl-3-butenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-2-methyl-3-butenitrile 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 2-Benzyl-2-methyl-3-butenitrile?
The CAS number of 2-Benzyl-2-methyl-3-butenitrile is 97384-48-0.
What is the molecular formula of 2-Benzyl-2-methyl-3-butenitrile?
The molecular formula of 2-Benzyl-2-methyl-3-butenitrile is C12H13N.
What is the molecular weight of 2-Benzyl-2-methyl-3-butenitrile?
The molecular weight of 2-Benzyl-2-methyl-3-butenitrile is 171.10 g/mol.
Where can I buy 2-Benzyl-2-methyl-3-butenitrile?
You can request a quote for 2-Benzyl-2-methyl-3-butenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-2-methyl-3-butenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-2-methyl-3-butenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.