1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide
TL;DR: 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide (CAS 5432-79-1) is a chemical compound with molecular formula C9H22N3+ and molecular weight 172.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-aminopropylideneamino)propyl-trimethylazanium
Also Known As: 1-EAC, 3-(1-aminopropylideneamino)propyl-trimethylazanium, 1-(4-Azonia-4,4-dimethylpentyl)-3-ethylcarbodiimide, 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide, N-Ethyl-N'-(3-trimethylammoniopropyl)carbodiimid
| Molecular Formula | C9H22N3+ |
|---|---|
| Molecular Weight | 172.18 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.18137 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 5432-79-1 |
|---|---|
| SMILES | CCC(=NCCC[N+](C)(C)C)N |
| InChIKey | VJINKBZUJYGZGP-UHFFFAOYSA-N |
Product Overview
1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide (CAS 5432-79-1), with molecular formula C9H22N3+ and molecular weight 172.18 g/mol. IUPAC: 3-(1-aminopropylideneamino)propyl-trimethylazanium.
Chemical Property Profile of 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide
Property Insights of 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide. With a topological polar surface area (TPSA) of 38.4 Ų, 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide has 1 hydrogen bond donor(s) and 1 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-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide?
The CAS number of 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide is 5432-79-1.
What is the molecular formula of 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide?
The molecular formula of 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide is C9H22N3+.
What is the molecular weight of 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide?
The molecular weight of 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide is 172.18 g/mol.
Where can I buy 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide?
You can request a quote for 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.