2-Amino-2,3-dimethylbutyronitrile
TL;DR: 2-Amino-2,3-dimethylbutyronitrile (CAS 13893-53-3) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2,3-dimethylbutanenitrile
Also Known As: 2-Amino-2,3-dimethylbutanenitrile, 2-Amino-2,3-dimethylbutyronitrile, BUTANENITRILE, Butanenitrile, 2-amino-2,3-dimethyl-, 2-Amino-2,3-dimethyl-butyronitrile
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 13893-53-3 |
|---|---|
| SMILES | CC(C)C(C)(C#N)N |
| InChIKey | CAOHBROWLMCZRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-2,3-dimethylbutyronitrile (CAS 13893-53-3), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: 2-amino-2,3-dimethylbutanenitrile.
Chemical Property Profile of 2-Amino-2,3-dimethylbutyronitrile
Property Insights of 2-Amino-2,3-dimethylbutyronitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-2,3-dimethylbutyronitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Amino-2,3-dimethylbutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-2,3-dimethylbutyronitrile 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-Amino-2,3-dimethylbutyronitrile?
The CAS number of 2-Amino-2,3-dimethylbutyronitrile is 13893-53-3.
What is the molecular formula of 2-Amino-2,3-dimethylbutyronitrile?
The molecular formula of 2-Amino-2,3-dimethylbutyronitrile is C6H12N2.
What is the molecular weight of 2-Amino-2,3-dimethylbutyronitrile?
The molecular weight of 2-Amino-2,3-dimethylbutyronitrile is 112.10 g/mol.
Where can I buy 2-Amino-2,3-dimethylbutyronitrile?
You can request a quote for 2-Amino-2,3-dimethylbutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-2,3-dimethylbutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-2,3-dimethylbutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.