1,4-Diamino-2-butyne
TL;DR: 1,4-Diamino-2-butyne (CAS 54778-23-3) is a chemical compound with molecular formula C(C#CCN)N and molecular weight 84.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-yne-1,4-diamine
Also Known As: 1,4-Diamino-2-butyne, but-2-yne-1,4-diamine, 2-Butyne-1,4-diamine, But-2-indiyldiamin, 1,4-Diaminobutyne-(2)
| Molecular Formula | C(C#CCN)N |
|---|---|
| Molecular Weight | 84.07 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.06875 |
| Heavy Atoms | 6 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 54778-23-3 |
|---|---|
| SMILES | C(C#CCN)N |
| InChIKey | CSZGEDPWASKNHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diamino-2-butyne (CAS 54778-23-3), with molecular formula C(C#CCN)N and molecular weight 84.07 g/mol. IUPAC: but-2-yne-1,4-diamine.
Chemical Property Profile of 1,4-Diamino-2-butyne
Property Insights of 1,4-Diamino-2-butyne
The XLogP value of -1.6 indicates that 1,4-Diamino-2-butyne is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, 1,4-Diamino-2-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diamino-2-butyne 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 1,4-Diamino-2-butyne?
The CAS number of 1,4-Diamino-2-butyne is 54778-23-3.
What is the molecular formula of 1,4-Diamino-2-butyne?
The molecular formula of 1,4-Diamino-2-butyne is C(C#CCN)N.
What is the molecular weight of 1,4-Diamino-2-butyne?
The molecular weight of 1,4-Diamino-2-butyne is 84.07 g/mol.
Where can I buy 1,4-Diamino-2-butyne?
You can request a quote for 1,4-Diamino-2-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diamino-2-butyne?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diamino-2-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.