3-Chloropropyl(diethyl)amine
TL;DR: 3-Chloropropyl(diethyl)amine (CAS 104-77-8) is a chemical compound with molecular formula C7H16ClN and molecular weight 149.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-diethylpropan-1-amine
Also Known As: 3-chloro-N,N-diethylpropan-1-amine, 3-Chloropropyl(diethyl)amine, 3-DIETHYLAMINOPROPYL CHLORIDE, (3-chloropropyl)diethylamine, N-(3-Chloropropyl)diethylamine
| Molecular Formula | C7H16ClN |
|---|---|
| Molecular Weight | 149.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 149.09712 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 104-77-8 |
|---|---|
| SMILES | CCN(CC)CCCCl |
| InChIKey | WVUULNDRFBHTFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloropropyl(diethyl)amine (CAS 104-77-8), with molecular formula C7H16ClN and molecular weight 149.10 g/mol. IUPAC: 3-chloro-N,N-diethylpropan-1-amine.
Chemical Property Profile of 3-Chloropropyl(diethyl)amine
Property Insights of 3-Chloropropyl(diethyl)amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloropropyl(diethyl)amine. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Chloropropyl(diethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropyl(diethyl)amine has 0 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 3-Chloropropyl(diethyl)amine?
The CAS number of 3-Chloropropyl(diethyl)amine is 104-77-8.
What is the molecular formula of 3-Chloropropyl(diethyl)amine?
The molecular formula of 3-Chloropropyl(diethyl)amine is C7H16ClN.
What is the molecular weight of 3-Chloropropyl(diethyl)amine?
The molecular weight of 3-Chloropropyl(diethyl)amine is 149.10 g/mol.
Where can I buy 3-Chloropropyl(diethyl)amine?
You can request a quote for 3-Chloropropyl(diethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropropyl(diethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropropyl(diethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.