1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-
TL;DR: 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl- (CAS 113812-23-0) is a chemical compound with molecular formula C14H34N4 and molecular weight 258.27835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis(3-aminopropyl)-N,N'-diethylbutane-1,4-diamine
Also Known As: N4,N9-diethylspermine, BIS(ETHYL)SPERMINE, 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-, J1.137.183C, 4,9-Diethyl-4,9-diazadodecane-1,12-diamine
Technical Specifications
| Molecular Formula | C14H34N4 |
| Molecular Weight | 258.27835 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 58.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 258.27835 Da |
| Heavy Atoms | 18 |
| Complexity | 146.0 |
| SMILES | CCN(CCCCN(CC)CCCN)CCCN |
| InChIKey | HCUFAPSHGYTZPM-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-
Property Insights of 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-. With a topological polar surface area (TPSA) of 58.5 Ų, 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-?
The CAS number of 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl- is 113812-23-0.
What is the molecular formula of 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-?
The molecular formula of 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl- is C14H34N4.
What is the molecular weight of 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-?
The molecular weight of 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl- is 258.27835 g/mol.
Where can I buy 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-?
You can request a quote for 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl-?
Yes, CoreyChem provides custom synthesis services for 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-N,N'-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.