Butyronitrile, 4-((2-cyanoethyl)amino)-
TL;DR: Butyronitrile, 4-((2-cyanoethyl)amino)- (CAS 75802-65-2) is a chemical compound with molecular formula C7H11N3 and molecular weight 137.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyanoethylamino)butanenitrile
Also Known As: 4-(2-cyanoethylamino)butanenitrile, 4-((2-Cyanoethyl)amino)butyronitrile, (2-Cianoetil)-(3-cianopropil)ammina, 2390 I.S., BUTYRONITRILE, 4-((2-CYANOETHYL)AMINO)-
| Molecular Formula | C7H11N3 |
|---|---|
| Molecular Weight | 137.10 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 137.09529 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 75802-65-2 |
|---|---|
| SMILES | C(CC#N)CNCCC#N |
| InChIKey | MQFCAEFMKAECPE-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 4-((2-cyanoethyl)amino)- (CAS 75802-65-2), with molecular formula C7H11N3 and molecular weight 137.10 g/mol. IUPAC: 4-(2-cyanoethylamino)butanenitrile.
Chemical Property Profile of Butyronitrile, 4-((2-cyanoethyl)amino)-
Property Insights of Butyronitrile, 4-((2-cyanoethyl)amino)-
The XLogP value of -0.5 indicates that Butyronitrile, 4-((2-cyanoethyl)amino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.6 Ų, Butyronitrile, 4-((2-cyanoethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 4-((2-cyanoethyl)amino)- 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 Butyronitrile, 4-((2-cyanoethyl)amino)-?
The CAS number of Butyronitrile, 4-((2-cyanoethyl)amino)- is 75802-65-2.
What is the molecular formula of Butyronitrile, 4-((2-cyanoethyl)amino)-?
The molecular formula of Butyronitrile, 4-((2-cyanoethyl)amino)- is C7H11N3.
What is the molecular weight of Butyronitrile, 4-((2-cyanoethyl)amino)-?
The molecular weight of Butyronitrile, 4-((2-cyanoethyl)amino)- is 137.10 g/mol.
Where can I buy Butyronitrile, 4-((2-cyanoethyl)amino)-?
You can request a quote for Butyronitrile, 4-((2-cyanoethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyronitrile, 4-((2-cyanoethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 4-((2-cyanoethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.