3-亚氨基丁腈
TL;DR: 3-亚氨基丁腈 (CAS 1118-60-1) is a chemical compound with molecular formula C4H6N2 and molecular weight 82.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-亚氨基丁腈
3-iminobutanenitrile
Also Known As: Diacetonitrile, 3-Iminobutyronitrile, Butanenitrile, 3-imino-, 3-iminobutanenitrile, 3-iminobutane nitrile
| Molecular Formula | C4H6N2 |
|---|---|
| Molecular Weight | 82.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 82.0531 |
| Heavy Atoms | 6 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 1118-60-1 |
|---|---|
| SMILES | CC(=N)CC#N |
| InChIKey | CSIFGMFVGDBOQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-亚氨基丁腈 (CAS 1118-60-1), with molecular formula C4H6N2 and molecular weight 82.05 g/mol. IUPAC: 3-iminobutanenitrile.
Chemical Property Profile of 3-亚氨基丁腈
Property Insights of 3-亚氨基丁腈
The XLogP value of -0.1 indicates that 3-亚氨基丁腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.6 Ų, 3-亚氨基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-亚氨基丁腈 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 3-亚氨基丁腈?
The CAS number of 3-亚氨基丁腈 is 1118-60-1.
What is the molecular formula of 3-亚氨基丁腈?
The molecular formula of 3-亚氨基丁腈 is C4H6N2.
What is the molecular weight of 3-亚氨基丁腈?
The molecular weight of 3-亚氨基丁腈 is 82.05 g/mol.
Where can I buy 3-亚氨基丁腈?
You can request a quote for 3-亚氨基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-亚氨基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 3-亚氨基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.