4-(二甲氨基)丁腈
TL;DR: 4-(二甲氨基)丁腈 (CAS 13989-82-7) 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.
4-(二甲氨基)丁腈
4-(dimethylamino)butanenitrile
Also Known As: 4-(Dimethylamino)butanenitrile, 4-(Dimethylamino)butyronitrile, 4-DIMETHYLAMINOBUTYRONITRILE, Butanenitrile, 4-(dimethylamino)-, 4-dimethylamino-butyronitrile
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 13989-82-7 |
|---|---|
| SMILES | CN(C)CCCC#N |
| InChIKey | HCLFLZTVKYHLCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(二甲氨基)丁腈 (CAS 13989-82-7), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: 4-(dimethylamino)butanenitrile.
Chemical Property Profile of 4-(二甲氨基)丁腈
Property Insights of 4-(二甲氨基)丁腈
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(二甲氨基)丁腈. With a topological polar surface area (TPSA) of 27.0 Ų, 4-(二甲氨基)丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(二甲氨基)丁腈 has 0 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 4-(二甲氨基)丁腈?
The CAS number of 4-(二甲氨基)丁腈 is 13989-82-7.
What is the molecular formula of 4-(二甲氨基)丁腈?
The molecular formula of 4-(二甲氨基)丁腈 is C6H12N2.
What is the molecular weight of 4-(二甲氨基)丁腈?
The molecular weight of 4-(二甲氨基)丁腈 is 112.10 g/mol.
Where can I buy 4-(二甲氨基)丁腈?
You can request a quote for 4-(二甲氨基)丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(二甲氨基)丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(二甲氨基)丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.