N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine
TL;DR: N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine (CAS 42443-72-1) is a chemical compound with molecular formula C19H42N2O and molecular weight 314.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-(11-methyldodecoxy)propyl]propane-1,3-diamine
Also Known As: N-[3- propyl]propane-1,3-diamine, N-Isotridecyloxypropyl trimethylenediamine, C13 Branched alkoxypropyleneaminepropyleneamine, N-[3-(ISOTRIDECYLOXY)PROPYL]PROPANE-1,3-DIAMINE, N-(3-(Isotridecyloxy)propyl)propane-1,3-diamine
| Molecular Formula | C19H42N2O |
|---|---|
| Molecular Weight | 314.33 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 314.3297 |
| Heavy Atoms | 22 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 42443-72-1 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCOCCCNCCCN |
| InChIKey | YZGGABQGIYPLRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine (CAS 42443-72-1), with molecular formula C19H42N2O and molecular weight 314.33 g/mol. IUPAC: N'-[3-(11-methyldodecoxy)propyl]propane-1,3-diamine.
Chemical Property Profile of N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine
Property Insights of N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine
The XLogP value of 5.3 indicates that N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine?
The CAS number of N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine is 42443-72-1.
What is the molecular formula of N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine?
The molecular formula of N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine is C19H42N2O.
What is the molecular weight of N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine?
The molecular weight of N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine is 314.33 g/mol.
Where can I buy N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine?
You can request a quote for N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(3-(Isotridecyloxy)propyl)-1,3-propanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.