![3-[Benzyl(tert-butyl)amino]prop-2-enenitrile structure](/static/products/894/89422-20-8.png)
3-[Benzyl(tert-butyl)amino]prop-2-enenitrile
TL;DR: 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile (CAS 89422-20-8) is a chemical compound with molecular formula C14H18N2 and molecular weight 214.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[benzyl(tert-butyl)amino]prop-2-enenitrile
Also Known As: 2-Propenenitrile, 3-[(1,1-dimethylethyl)(phenylmethyl)amino]-, (E)-, 2-Propenenitrile, 3-[(1,1-dimethylethyl)(phenylmethyl)amino]-, (Z)-
| Molecular Formula | C14H18N2 |
|---|---|
| Molecular Weight | 214.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.147 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 89422-20-8 |
|---|---|
| SMILES | CC(C)(C)N(CC1=CC=CC=C1)C=CC#N |
| InChIKey | IEZKXVUUOSPJDC-UHFFFAOYSA-N |
Product Overview
3-[Benzyl(tert-butyl)amino]prop-2-enenitrile (CAS 89422-20-8), with molecular formula C14H18N2 and molecular weight 214.15 g/mol. IUPAC: 3-[benzyl(tert-butyl)amino]prop-2-enenitrile.
Chemical Property Profile of 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile
Property Insights of 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile 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 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile?
The CAS number of 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile is 89422-20-8.
What is the molecular formula of 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile?
The molecular formula of 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile is C14H18N2.
What is the molecular weight of 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile?
The molecular weight of 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile is 214.15 g/mol.
Where can I buy 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile?
You can request a quote for 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[Benzyl(tert-butyl)amino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.