3-Buten-2-amine, N,N-diethyl-
TL;DR: 3-Buten-2-amine, N,N-diethyl- (CAS 37969-64-5) is a chemical compound with molecular formula C8H17N and molecular weight 127.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylbut-3-en-2-amine
Also Known As: (but-3-en-2-yl)diethylamine, N,N-diethylbut-3-en-2-amine, N,N-Diethyl-3-buten-2-amine, diethyl-(1-methyl-allyl)-amine, 3-Buten-2-amine, N,N-diethyl-
| Molecular Formula | C8H17N |
|---|---|
| Molecular Weight | 127.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 127.1361 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 37969-64-5 |
|---|---|
| SMILES | CCN(CC)C(C)C=C |
| InChIKey | QAWKMEGBWCBEFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-amine, N,N-diethyl- (CAS 37969-64-5), with molecular formula C8H17N and molecular weight 127.14 g/mol. IUPAC: N,N-diethylbut-3-en-2-amine.
Chemical Property Profile of 3-Buten-2-amine, N,N-diethyl-
Property Insights of 3-Buten-2-amine, N,N-diethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-amine, N,N-diethyl-. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Buten-2-amine, N,N-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-amine, N,N-diethyl- 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 3-Buten-2-amine, N,N-diethyl-?
The CAS number of 3-Buten-2-amine, N,N-diethyl- is 37969-64-5.
What is the molecular formula of 3-Buten-2-amine, N,N-diethyl-?
The molecular formula of 3-Buten-2-amine, N,N-diethyl- is C8H17N.
What is the molecular weight of 3-Buten-2-amine, N,N-diethyl-?
The molecular weight of 3-Buten-2-amine, N,N-diethyl- is 127.14 g/mol.
Where can I buy 3-Buten-2-amine, N,N-diethyl-?
You can request a quote for 3-Buten-2-amine, N,N-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-amine, N,N-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-amine, N,N-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.