Dibutadiamin dihydrochloride
TL;DR: Dibutadiamin dihydrochloride (CAS 1867-72-7) is a chemical compound with molecular formula C8H22Cl2N2 and molecular weight 216.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-azaniumylbutyl(tert-butyl)azanium dichloride
Also Known As: Dibutadiamin dihydrochloride, N-tert-Butyl-1,4-butanediamine dihydrochloride, 4-azaniumylbutyl(tert-butyl)azanium dichloride, 1,4-Diaminobutane, N-tert-butyl-, dihydrochloride, 4-azaniumylbutyl(tert-butyl)azanium;dichloride
| Molecular Formula | C8H22Cl2N2 |
|---|---|
| Molecular Weight | 216.12 g/mol |
| LogP | -6.62 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.116 |
| Heavy Atoms | 12 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 1867-72-7 |
|---|---|
| SMILES | CC(C)(C)[NH2+]CCCC[NH3+].[Cl-].[Cl-] |
| InChIKey | JFKDTPNZOJXSNR-UHFFFAOYSA-N |
Product Overview
Dibutadiamin dihydrochloride (CAS 1867-72-7), with molecular formula C8H22Cl2N2 and molecular weight 216.12 g/mol. IUPAC: 4-azaniumylbutyl(tert-butyl)azanium dichloride.
Chemical Property Profile of Dibutadiamin dihydrochloride
Property Insights of Dibutadiamin dihydrochloride
The XLogP value of -6.62 indicates that Dibutadiamin dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.3 Ų, Dibutadiamin dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutadiamin dihydrochloride 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 Dibutadiamin dihydrochloride?
The CAS number of Dibutadiamin dihydrochloride is 1867-72-7.
What is the molecular formula of Dibutadiamin dihydrochloride?
The molecular formula of Dibutadiamin dihydrochloride is C8H22Cl2N2.
What is the molecular weight of Dibutadiamin dihydrochloride?
The molecular weight of Dibutadiamin dihydrochloride is 216.12 g/mol.
Where can I buy Dibutadiamin dihydrochloride?
You can request a quote for Dibutadiamin dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutadiamin dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dibutadiamin dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.