2-Anilino-2-methylbutanenitrile
TL;DR: 2-Anilino-2-methylbutanenitrile (CAS 85599-85-5) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-2-methylbutanenitrile
Also Known As: 2-anilino-2-methylbutanenitrile, 2-methyl-2-(phenylamino)butanenitrile, 2-Methyl-2-anilinobutyronitrile, 2-anilino-2-methyl-butanenitrile, 2-(Phenylamino)-2-methylbutanenitrile
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 2.79078 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 299.61636 |
Chemical Identifiers
| CAS Number | 85599-85-5 |
|---|---|
| SMILES | CCC(C)(C#N)NC1=CC=CC=C1 |
Product Overview
2-Anilino-2-methylbutanenitrile (CAS 85599-85-5), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 2-anilino-2-methylbutanenitrile.
Chemical Property Profile of 2-Anilino-2-methylbutanenitrile
Property Insights of 2-Anilino-2-methylbutanenitrile
The XLogP value of 2.79078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Anilino-2-methylbutanenitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 2-Anilino-2-methylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilino-2-methylbutanenitrile has 1 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 2-Anilino-2-methylbutanenitrile?
The CAS number of 2-Anilino-2-methylbutanenitrile is 85599-85-5.
What is the molecular formula of 2-Anilino-2-methylbutanenitrile?
The molecular formula of 2-Anilino-2-methylbutanenitrile is C11H14N2.
What is the molecular weight of 2-Anilino-2-methylbutanenitrile?
The molecular weight of 2-Anilino-2-methylbutanenitrile is 174.12 g/mol.
Where can I buy 2-Anilino-2-methylbutanenitrile?
You can request a quote for 2-Anilino-2-methylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anilino-2-methylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilino-2-methylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.