2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)-
TL;DR: 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- (CAS 77376-91-1) is a chemical compound with molecular formula C7H10N2 and molecular weight 122.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethylaziridin-1-yl)prop-2-enenitrile
Also Known As: 2-PROPENENITRILE, 3-(2,2-DIMETHYL-1-AZIRIDINYL)-, 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- (9CI)
| Molecular Formula | C7H10N2 |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.0844 |
| Heavy Atoms | 9 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 77376-91-1 |
|---|---|
| SMILES | CC1(CN1C=CC#N)C |
| InChIKey | CHEZCHWDFNQNBB-UHFFFAOYSA-N |
Product Overview
2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- (CAS 77376-91-1), with molecular formula C7H10N2 and molecular weight 122.08 g/mol. IUPAC: 3-(2,2-dimethylaziridin-1-yl)prop-2-enenitrile.
Chemical Property Profile of 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)-
Property Insights of 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)-. With a topological polar surface area (TPSA) of 26.8 Ų, 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- 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 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)-?
The CAS number of 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- is 77376-91-1.
What is the molecular formula of 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)-?
The molecular formula of 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- is C7H10N2.
What is the molecular weight of 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)-?
The molecular weight of 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- is 122.08 g/mol.
Where can I buy 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)-?
You can request a quote for 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenenitrile, 3-(2,2-dimethyl-1-aziridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.