N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine
TL;DR: N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine (CAS 111-72-8) is a chemical compound with molecular formula C6H14N2 and molecular weight 114.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-dimethylbut-2-ene-1,4-diamine
Also Known As: 2-Butene-1,4-diamine, N,N'-dimethyl-, n,n'-dimethylbut-2-ene-1,4-diamine, N,N'-But-2-enylidenebis(methylamine), N,N'-Dimethyl-2-butene-1,4-diamine, 2-Butene-1,4-diamine, N1,N4-dimethyl-
| Molecular Formula | C6H14N2 |
|---|---|
| Molecular Weight | 114.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.1157 |
| Heavy Atoms | 8 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 111-72-8 |
|---|---|
| SMILES | CNCC=CCNC |
| InChIKey | QXDVFQAKOKIPCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine (CAS 111-72-8), with molecular formula C6H14N2 and molecular weight 114.12 g/mol. IUPAC: N,N'-dimethylbut-2-ene-1,4-diamine.
Chemical Property Profile of N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine
Property Insights of N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine
The XLogP value of -0.3 indicates that N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.1 Ų, N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine has 2 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 N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine?
The CAS number of N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine is 111-72-8.
What is the molecular formula of N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine?
The molecular formula of N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine is C6H14N2.
What is the molecular weight of N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine?
The molecular weight of N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine is 114.12 g/mol.
Where can I buy N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine?
You can request a quote for N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~4~-Dimethylbut-2-ene-1,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.