2-(二乙氨基)乙腈
TL;DR: 2-(二乙氨基)乙腈 (CAS 3010-02-4) 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-(二乙氨基)乙腈
2-(diethylamino)acetonitrile
Also Known As: Diethylaminoacetonitrile, 2-(Diethylamino)acetonitrile, (Diethylamino)acetonitrile, Iodoethane, N,N-Diethylaminoacetonitrile
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.8 |
| 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 | 85.0 |
Chemical Identifiers
| CAS Number | 3010-02-4 |
|---|---|
| SMILES | CCN(CC)CC#N |
| InChIKey | LVPZSMIBSMMLPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(二乙氨基)乙腈 (CAS 3010-02-4), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: 2-(diethylamino)acetonitrile.
Chemical Property Profile of 2-(二乙氨基)乙腈
Property Insights of 2-(二乙氨基)乙腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(二乙氨基)乙腈. With a topological polar surface area (TPSA) of 27.0 Ų, 2-(二乙氨基)乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(二乙氨基)乙腈 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 2-(二乙氨基)乙腈?
The CAS number of 2-(二乙氨基)乙腈 is 3010-02-4.
What is the molecular formula of 2-(二乙氨基)乙腈?
The molecular formula of 2-(二乙氨基)乙腈 is C6H12N2.
What is the molecular weight of 2-(二乙氨基)乙腈?
The molecular weight of 2-(二乙氨基)乙腈 is 112.10 g/mol.
Where can I buy 2-(二乙氨基)乙腈?
You can request a quote for 2-(二乙氨基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(二乙氨基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(二乙氨基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.