N,N-diethyl-3-isocyanopropan-1-amine
TL;DR: N,N-diethyl-3-isocyanopropan-1-amine (CAS 112989-88-5) is a chemical compound with molecular formula C8H16N2 and molecular weight 140.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-isocyanopropan-1-amine
Also Known As: diethyl(3-isocyanopropyl)amine, N,N-diethyl-3-isocyanopropan-1-amine, TOS-BB-0769, N,N-diethyl-N-(3-isocyanopropyl)amine
| Molecular Formula | C8H16N2 |
|---|---|
| Molecular Weight | 140.13 g/mol |
| LogP | 1.63759 |
| Topological Polar Surface Area | 7.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 140.13135 |
| Heavy Atoms | 10 |
| Complexity | 100.315445 |
Chemical Identifiers
| CAS Number | 112989-88-5 |
|---|---|
| SMILES | CCN(CC)CCC[N+]#[C-] |
Product Overview
N,N-diethyl-3-isocyanopropan-1-amine (CAS 112989-88-5), with molecular formula C8H16N2 and molecular weight 140.13 g/mol. IUPAC: N,N-diethyl-3-isocyanopropan-1-amine.
Chemical Property Profile of N,N-diethyl-3-isocyanopropan-1-amine
Property Insights of N,N-diethyl-3-isocyanopropan-1-amine
The XLogP value of 1.63759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-3-isocyanopropan-1-amine. With a topological polar surface area (TPSA) of 7.6 Ų, N,N-diethyl-3-isocyanopropan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-3-isocyanopropan-1-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 N,N-diethyl-3-isocyanopropan-1-amine?
The CAS number of N,N-diethyl-3-isocyanopropan-1-amine is 112989-88-5.
What is the molecular formula of N,N-diethyl-3-isocyanopropan-1-amine?
The molecular formula of N,N-diethyl-3-isocyanopropan-1-amine is C8H16N2.
What is the molecular weight of N,N-diethyl-3-isocyanopropan-1-amine?
The molecular weight of N,N-diethyl-3-isocyanopropan-1-amine is 140.13 g/mol.
Where can I buy N,N-diethyl-3-isocyanopropan-1-amine?
You can request a quote for N,N-diethyl-3-isocyanopropan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-3-isocyanopropan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-3-isocyanopropan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.