2-Butene-1,4-diamine, N-methyl-
TL;DR: 2-Butene-1,4-diamine, N-methyl- (CAS 85771-12-6) is a chemical compound with molecular formula C5H12N2 and molecular weight 100.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N'-methylbut-2-ene-1,4-diamine
Also Known As: 2-Butene-1,4-diamine, N-methyl-, (E)-N'-methylbut-2-ene-1,4-diamine
| Molecular Formula | C5H12N2 |
|---|---|
| Molecular Weight | 100.10 g/mol |
| LogP | -0.2793 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.10005 |
| Heavy Atoms | 7 |
| Complexity | 50.041843 |
Chemical Identifiers
| CAS Number | 85771-12-6 |
|---|---|
| SMILES | CNC/C=C/CN |
Product Overview
2-Butene-1,4-diamine, N-methyl- (CAS 85771-12-6), with molecular formula C5H12N2 and molecular weight 100.10 g/mol. IUPAC: (E)-N'-methylbut-2-ene-1,4-diamine.
Chemical Property Profile of 2-Butene-1,4-diamine, N-methyl-
Property Insights of 2-Butene-1,4-diamine, N-methyl-
The XLogP value of -0.2793 indicates that 2-Butene-1,4-diamine, N-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.05 Ų, 2-Butene-1,4-diamine, N-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butene-1,4-diamine, N-methyl- 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 2-Butene-1,4-diamine, N-methyl-?
The CAS number of 2-Butene-1,4-diamine, N-methyl- is 85771-12-6.
What is the molecular formula of 2-Butene-1,4-diamine, N-methyl-?
The molecular formula of 2-Butene-1,4-diamine, N-methyl- is C5H12N2.
What is the molecular weight of 2-Butene-1,4-diamine, N-methyl-?
The molecular weight of 2-Butene-1,4-diamine, N-methyl- is 100.10 g/mol.
Where can I buy 2-Butene-1,4-diamine, N-methyl-?
You can request a quote for 2-Butene-1,4-diamine, N-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butene-1,4-diamine, N-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butene-1,4-diamine, N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.