1-Aziridinepropanenitrile, beta-methyl-
TL;DR: 1-Aziridinepropanenitrile, beta-methyl- (CAS 4078-19-7) is a chemical compound with molecular formula C6H10N2 and molecular weight 110.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aziridin-1-yl)butanenitrile
Also Known As: 3-(1-Aziridinyl)butyronitrile, 3-(N-Aziridinyl)butyronitrile, 3-(aziridin-1-yl)butanenitrile, 3-aziridin-1-yl-butyronitrile, 1-Aziridinepropionitrile, beta-methyl-
| Molecular Formula | C6H10N2 |
|---|---|
| Molecular Weight | 110.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.0844 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 4078-19-7 |
|---|---|
| SMILES | CC(CC#N)N1CC1 |
| InChIKey | KMBJEVSXNIUPIH-UHFFFAOYSA-N |
Product Overview
1-Aziridinepropanenitrile, beta-methyl- (CAS 4078-19-7), with molecular formula C6H10N2 and molecular weight 110.08 g/mol. IUPAC: 3-(aziridin-1-yl)butanenitrile.
Chemical Property Profile of 1-Aziridinepropanenitrile, beta-methyl-
Property Insights of 1-Aziridinepropanenitrile, beta-methyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridinepropanenitrile, beta-methyl-. With a topological polar surface area (TPSA) of 26.8 Ų, 1-Aziridinepropanenitrile, beta-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridinepropanenitrile, beta-methyl- 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 1-Aziridinepropanenitrile, beta-methyl-?
The CAS number of 1-Aziridinepropanenitrile, beta-methyl- is 4078-19-7.
What is the molecular formula of 1-Aziridinepropanenitrile, beta-methyl-?
The molecular formula of 1-Aziridinepropanenitrile, beta-methyl- is C6H10N2.
What is the molecular weight of 1-Aziridinepropanenitrile, beta-methyl-?
The molecular weight of 1-Aziridinepropanenitrile, beta-methyl- is 110.08 g/mol.
Where can I buy 1-Aziridinepropanenitrile, beta-methyl-?
You can request a quote for 1-Aziridinepropanenitrile, beta-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aziridinepropanenitrile, beta-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridinepropanenitrile, beta-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.