1,3-Propanediamine dihydrochloride
TL;DR: 1,3-Propanediamine dihydrochloride (CAS 65898-86-4) is a chemical compound with molecular formula C3H12Cl2N2 and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propane-1,3-diamine;dihydrochloride
Also Known As: 1,3-Diaminopropane dihydrochloride, propane-1,3-diamine dihydrochloride, Trimethylenediamine, 1,3-diaminopropane, Trimethylenediamine dihydrochloride
| Molecular Formula | C3H12Cl2N2 |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 0.1375 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.03775 |
| Heavy Atoms | 7 |
| Complexity | 12.0 |
Chemical Identifiers
| CAS Number | 65898-86-4 |
|---|---|
| SMILES | C(CN)CN.Cl.Cl |
| InChIKey | HYOCSVGEQMCOGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediamine dihydrochloride (CAS 65898-86-4), with molecular formula C3H12Cl2N2 and molecular weight 146.04 g/mol. IUPAC: propane-1,3-diamine;dihydrochloride.
Chemical Property Profile of 1,3-Propanediamine dihydrochloride
Property Insights of 1,3-Propanediamine dihydrochloride
The XLogP value of 0.1375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine dihydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, 1,3-Propanediamine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine dihydrochloride has 4 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 1,3-Propanediamine dihydrochloride?
The CAS number of 1,3-Propanediamine dihydrochloride is 65898-86-4.
What is the molecular formula of 1,3-Propanediamine dihydrochloride?
The molecular formula of 1,3-Propanediamine dihydrochloride is C3H12Cl2N2.
What is the molecular weight of 1,3-Propanediamine dihydrochloride?
The molecular weight of 1,3-Propanediamine dihydrochloride is 146.04 g/mol.
Where can I buy 1,3-Propanediamine dihydrochloride?
You can request a quote for 1,3-Propanediamine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediamine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.