2-(Tert-butylamino)-2-phenylacetonitrile
TL;DR: 2-(Tert-butylamino)-2-phenylacetonitrile (CAS 60509-75-3) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)-2-phenylacetonitrile
Also Known As: alpha-cyano-N-tert-butylbenzylamine, 2-(tert-butylamino)-2-phenylacetonitrile, alpha-(tert-Butylamino)benzeneacetonitrile, J2.458.044J
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 60509-75-3 |
|---|---|
| SMILES | CC(C)(C)NC(C#N)C1=CC=CC=C1 |
| InChIKey | GIVHIYFKZQXZMH-UHFFFAOYSA-N |
Product Overview
2-(Tert-butylamino)-2-phenylacetonitrile (CAS 60509-75-3), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 2-(tert-butylamino)-2-phenylacetonitrile.
Chemical Property Profile of 2-(Tert-butylamino)-2-phenylacetonitrile
Property Insights of 2-(Tert-butylamino)-2-phenylacetonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butylamino)-2-phenylacetonitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 2-(Tert-butylamino)-2-phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Tert-butylamino)-2-phenylacetonitrile 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-(Tert-butylamino)-2-phenylacetonitrile?
The CAS number of 2-(Tert-butylamino)-2-phenylacetonitrile is 60509-75-3.
What is the molecular formula of 2-(Tert-butylamino)-2-phenylacetonitrile?
The molecular formula of 2-(Tert-butylamino)-2-phenylacetonitrile is C12H16N2.
What is the molecular weight of 2-(Tert-butylamino)-2-phenylacetonitrile?
The molecular weight of 2-(Tert-butylamino)-2-phenylacetonitrile is 188.13 g/mol.
Where can I buy 2-(Tert-butylamino)-2-phenylacetonitrile?
You can request a quote for 2-(Tert-butylamino)-2-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butylamino)-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butylamino)-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.