1-Diathylamino-butadien
TL;DR: 1-Diathylamino-butadien (CAS 201275-16-3) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-N,N-diethylbuta-1,3-dien-1-amine
Also Known As: 1-Diathylamino-butadien, 1-Diethylaminobutadien-1.3, N,N-Diethyl-1,3-butadienylamine, (buta-1,3-dien-1-yl)diethylamine, N,N-Diethyl-1,3-butadiene-1-amine
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 2.0279 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 90.74076 |
Chemical Identifiers
| CAS Number | 201275-16-3 |
|---|---|
| SMILES | CCN(CC)/C=C/C=C |
Product Overview
1-Diathylamino-butadien (CAS 201275-16-3), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: (1E)-N,N-diethylbuta-1,3-dien-1-amine.
Chemical Property Profile of 1-Diathylamino-butadien
Property Insights of 1-Diathylamino-butadien
The XLogP value of 2.0279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Diathylamino-butadien. With a topological polar surface area (TPSA) of 3.24 Ų, 1-Diathylamino-butadien exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Diathylamino-butadien 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 1-Diathylamino-butadien?
The CAS number of 1-Diathylamino-butadien is 201275-16-3.
What is the molecular formula of 1-Diathylamino-butadien?
The molecular formula of 1-Diathylamino-butadien is C8H15N.
What is the molecular weight of 1-Diathylamino-butadien?
The molecular weight of 1-Diathylamino-butadien is 125.12 g/mol.
Where can I buy 1-Diathylamino-butadien?
You can request a quote for 1-Diathylamino-butadien directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Diathylamino-butadien?
Yes, KEHONG BIO provides custom synthesis services for 1-Diathylamino-butadien and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.