N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)
TL;DR: N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) (CAS 55470-69-4) is a chemical compound with molecular formula C23H44N2O3S and molecular weight 428.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethylpropane-1,3-diamine;4-dodecylbenzenesulfonic acid
Also Known As: N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1), N,N-Dimethyl-1,3-propanediamine dodecyl-4-benzenesulfonate, Benzenesulfonic acid, 4-dodecyl-, compd. with N,N-dimethyl-1,3-propanediamine (1:1), N',N'-dimethylpropane-1,3-diamine,4-dodecylbenzenesulfonic acid, N',N'-dimethylpropane-1,3-diamine; 4-dodecylbenzenesulfonic acid
| Molecular Formula | C23H44N2O3S |
|---|---|
| Molecular Weight | 428.31 g/mol |
| LogP | 5.29 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 428.30725 |
| Heavy Atoms | 29 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 55470-69-4 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CCCN |
| InChIKey | RUIQTRQTSAJLNX-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) (CAS 55470-69-4), with molecular formula C23H44N2O3S and molecular weight 428.31 g/mol. IUPAC: N',N'-dimethylpropane-1,3-diamine;4-dodecylbenzenesulfonic acid.
Chemical Property Profile of N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)
Property Insights of N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)
The XLogP value of 5.29 indicates that N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)?
The CAS number of N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) is 55470-69-4.
What is the molecular formula of N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)?
The molecular formula of N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) is C23H44N2O3S.
What is the molecular weight of N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)?
The molecular weight of N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) is 428.31 g/mol.
Where can I buy N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)?
You can request a quote for N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.