Diethyl(2-isocyanoethyl)amine
TL;DR: Diethyl(2-isocyanoethyl)amine (CAS 40060-77-3) is a chemical compound with molecular formula C7H14N2 and molecular weight 126.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-isocyanoethanamine
Also Known As: diethyl(2-isocyanoethyl)amine, N,N-diethyl-2-isocyanoethanamine, N,N-diethyl-2-isocyano-ethanamine
| Molecular Formula | C7H14N2 |
|---|---|
| Molecular Weight | 126.12 g/mol |
| LogP | 1.24749 |
| Topological Polar Surface Area | 7.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.1157 |
| Heavy Atoms | 9 |
| Complexity | 89.5795 |
Chemical Identifiers
| CAS Number | 40060-77-3 |
|---|---|
| SMILES | CCN(CC)CC[N+]#[C-] |
Product Overview
Diethyl(2-isocyanoethyl)amine (CAS 40060-77-3), with molecular formula C7H14N2 and molecular weight 126.12 g/mol. IUPAC: N,N-diethyl-2-isocyanoethanamine.
Chemical Property Profile of Diethyl(2-isocyanoethyl)amine
Property Insights of Diethyl(2-isocyanoethyl)amine
The XLogP value of 1.24749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(2-isocyanoethyl)amine. With a topological polar surface area (TPSA) of 7.6 Ų, Diethyl(2-isocyanoethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl(2-isocyanoethyl)amine has 0 hydrogen bond donor(s) and 1 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 Diethyl(2-isocyanoethyl)amine?
The CAS number of Diethyl(2-isocyanoethyl)amine is 40060-77-3.
What is the molecular formula of Diethyl(2-isocyanoethyl)amine?
The molecular formula of Diethyl(2-isocyanoethyl)amine is C7H14N2.
What is the molecular weight of Diethyl(2-isocyanoethyl)amine?
The molecular weight of Diethyl(2-isocyanoethyl)amine is 126.12 g/mol.
Where can I buy Diethyl(2-isocyanoethyl)amine?
You can request a quote for Diethyl(2-isocyanoethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(2-isocyanoethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(2-isocyanoethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.