3-Amino-3-methylbutanenitrile
TL;DR: 3-Amino-3-methylbutanenitrile (CAS 27397-96-2) is a chemical compound with molecular formula C5H10N2 and molecular weight 98.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-methylbutanenitrile
Also Known As: Isovalinonitrile, 3-amino-3-methylbutanenitrile, Vazo 67 aminonitrile, 2-Amino-2-methylbutanenitrile, 2-Amino-2-methylbutyronitrile
| Molecular Formula | C5H10N2 |
|---|---|
| Molecular Weight | 98.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.0844 |
| Heavy Atoms | 7 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 27397-96-2 |
|---|---|
| SMILES | CC(C)(CC#N)N |
| InChIKey | QRTYOGZNWNFUGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-3-methylbutanenitrile (CAS 27397-96-2), with molecular formula C5H10N2 and molecular weight 98.08 g/mol. IUPAC: 3-amino-3-methylbutanenitrile.
Chemical Property Profile of 3-Amino-3-methylbutanenitrile
Property Insights of 3-Amino-3-methylbutanenitrile
The XLogP value of -0.4 indicates that 3-Amino-3-methylbutanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Amino-3-methylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-3-methylbutanenitrile 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-Amino-3-methylbutanenitrile?
The CAS number of 3-Amino-3-methylbutanenitrile is 27397-96-2.
What is the molecular formula of 3-Amino-3-methylbutanenitrile?
The molecular formula of 3-Amino-3-methylbutanenitrile is C5H10N2.
What is the molecular weight of 3-Amino-3-methylbutanenitrile?
The molecular weight of 3-Amino-3-methylbutanenitrile is 98.08 g/mol.
Where can I buy 3-Amino-3-methylbutanenitrile?
You can request a quote for 3-Amino-3-methylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-methylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-methylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.