1,3-Propanediamine, N1-(2-ethylhexyl)-
TL;DR: 1,3-Propanediamine, N1-(2-ethylhexyl)- (CAS 13281-06-6) is a chemical compound with molecular formula C11H26N2 and molecular weight 186.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-ethylhexyl)propane-1,3-diamine
Also Known As: N-(2-Ethylhexyl)propane-1,3-diamine, 1-Anilino-2-aethyl-hexan, 2-ethylhexylaminopropylamine, 1,3-Propanediamine, N-(2-ethylhexyl)-, 1,3-Propanediamine, N1-(2-ethylhexyl)-
| Molecular Formula | C11H26N2 |
|---|---|
| Molecular Weight | 186.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.2096 |
| Heavy Atoms | 13 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 13281-06-6 |
|---|---|
| SMILES | CCCCC(CC)CNCCCN |
| InChIKey | XKXKBRKXBRLPNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediamine, N1-(2-ethylhexyl)- (CAS 13281-06-6), with molecular formula C11H26N2 and molecular weight 186.21 g/mol. IUPAC: N'-(2-ethylhexyl)propane-1,3-diamine.
Chemical Property Profile of 1,3-Propanediamine, N1-(2-ethylhexyl)-
Property Insights of 1,3-Propanediamine, N1-(2-ethylhexyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N1-(2-ethylhexyl)-. With a topological polar surface area (TPSA) of 38.1 Ų, 1,3-Propanediamine, N1-(2-ethylhexyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N1-(2-ethylhexyl)- 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 1,3-Propanediamine, N1-(2-ethylhexyl)-?
The CAS number of 1,3-Propanediamine, N1-(2-ethylhexyl)- is 13281-06-6.
What is the molecular formula of 1,3-Propanediamine, N1-(2-ethylhexyl)-?
The molecular formula of 1,3-Propanediamine, N1-(2-ethylhexyl)- is C11H26N2.
What is the molecular weight of 1,3-Propanediamine, N1-(2-ethylhexyl)-?
The molecular weight of 1,3-Propanediamine, N1-(2-ethylhexyl)- is 186.21 g/mol.
Where can I buy 1,3-Propanediamine, N1-(2-ethylhexyl)-?
You can request a quote for 1,3-Propanediamine, N1-(2-ethylhexyl)- 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, N1-(2-ethylhexyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N1-(2-ethylhexyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.