1,4-Butanediamine, N-chloro-
TL;DR: 1,4-Butanediamine, N-chloro- (CAS 109241-56-7) is a chemical compound with molecular formula C(CCNCl)CN and molecular weight 122.06107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-chlorobutane-1,4-diamine
Also Known As: N-Chloro-1,4-butanediamine, 1,4-Butanediamine, N-chloro-, N'-chlorobutane-1,4-diamine, N-(4-Aminobutyl)hypochlorous amide
Technical Specifications
| Molecular Formula | C(CCNCl)CN |
| Molecular Weight | 122.06107 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 122.06107 Da |
| Heavy Atoms | 7 |
| Complexity | 32.0 |
| SMILES | C(CCNCl)CN |
| InChIKey | VTGYEFKOAGUUAO-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Butanediamine, N-chloro-
Property Insights of 1,4-Butanediamine, N-chloro-
The XLogP value of -0.1 indicates that 1,4-Butanediamine, N-chloro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.1 Ų, 1,4-Butanediamine, N-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanediamine, N-chloro- 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
What is the CAS number of 1,4-Butanediamine, N-chloro-?
The CAS number of 1,4-Butanediamine, N-chloro- is 109241-56-7.
What is the molecular formula of 1,4-Butanediamine, N-chloro-?
The molecular formula of 1,4-Butanediamine, N-chloro- is C(CCNCl)CN.
What is the molecular weight of 1,4-Butanediamine, N-chloro-?
The molecular weight of 1,4-Butanediamine, N-chloro- is 122.06107 g/mol.
Where can I buy 1,4-Butanediamine, N-chloro-?
You can request a quote for 1,4-Butanediamine, N-chloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Butanediamine, N-chloro-?
Yes, CoreyChem provides custom synthesis services for 1,4-Butanediamine, N-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.