3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile
TL;DR: 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile (CAS 89422-27-5) is a chemical compound with molecular formula C6H9N3 and molecular weight 123.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethyldiaziridin-1-yl)prop-2-enenitrile
Also Known As: 2-Propenenitrile, 3-(3,3-dimethyl-1-diaziridinyl)-, (E)-, 2-Propenenitrile, 3-(3,3-dimethyl-1-diaziridinyl)-, (Z)-
| Molecular Formula | C6H9N3 |
|---|---|
| Molecular Weight | 123.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.07965 |
| Heavy Atoms | 9 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 89422-27-5 |
|---|---|
| SMILES | CC1(NN1C=CC#N)C |
| InChIKey | KERUYFVZDLFVDJ-UHFFFAOYSA-N |
Product Overview
3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile (CAS 89422-27-5), with molecular formula C6H9N3 and molecular weight 123.08 g/mol. IUPAC: 3-(3,3-dimethyldiaziridin-1-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile
Property Insights of 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 48.7 Ų, 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 3 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-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile?
The CAS number of 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile is 89422-27-5.
What is the molecular formula of 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile?
The molecular formula of 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile is C6H9N3.
What is the molecular weight of 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile?
The molecular weight of 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile is 123.08 g/mol.
Where can I buy 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile?
You can request a quote for 3-(3,3-Dimethyldiaziridin-1-yl)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-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,3-Dimethyldiaziridin-1-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.