2-Aminobutanenitrile
TL;DR: 2-Aminobutanenitrile (CAS 93554-80-4) is a chemical compound with molecular formula C4H8N2 and molecular weight 84.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminobutanenitrile
Also Known As: 2-aminobutanenitrile, 2-aminobutyronitrile, aminobutyronitrile, Butanenitrile, 2-amino-, alpha-aminobutyronitrile
| Molecular Formula | C4H8N2 |
|---|---|
| Molecular Weight | 84.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.06875 |
| Heavy Atoms | 6 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 93554-80-4 |
|---|---|
| SMILES | CCC(C#N)N |
| InChIKey | DQQIUVCNBOJDGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Aminobutanenitrile (CAS 93554-80-4), with molecular formula C4H8N2 and molecular weight 84.07 g/mol. IUPAC: 2-aminobutanenitrile.
Chemical Property Profile of 2-Aminobutanenitrile
Property Insights of 2-Aminobutanenitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminobutanenitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Aminobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Aminobutanenitrile 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 2-Aminobutanenitrile?
The CAS number of 2-Aminobutanenitrile is 93554-80-4.
What is the molecular formula of 2-Aminobutanenitrile?
The molecular formula of 2-Aminobutanenitrile is C4H8N2.
What is the molecular weight of 2-Aminobutanenitrile?
The molecular weight of 2-Aminobutanenitrile is 84.07 g/mol.
Where can I buy 2-Aminobutanenitrile?
You can request a quote for 2-Aminobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.