3-(Diethylamino)propyl 4-butoxybenzoate
TL;DR: 3-(Diethylamino)propyl 4-butoxybenzoate (CAS 76-91-5) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylamino)propyl 4-butoxybenzoate
Also Known As: TOPICAINE, dimethyl 3-nitrophthalate, 3-(diethylamino)propyl 4-butoxybenzoate, 3-diethylaminopropyl 4-butoxybenzoate, 3-Diethylaminopropyl p-butoxybenzoate
Technical Specifications
| Molecular Formula | C18H29NO3 |
| Molecular Weight | 307.21475 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 307.21475 Da |
| Heavy Atoms | 22 |
| Complexity | 284.0 |
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OCCCN(CC)CC |
| InChIKey | WBSPEOVJZILIPJ-UHFFFAOYSA-N |
Product Description
Applications: 3-(Diethylamino)propyl 4-butoxybenzoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(Diethylamino)propyl 4-butoxybenzoate (CAS 76-91-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-(Diethylamino)propyl 4-butoxybenzoate (CAS 76-91-5) is a fine chemical with the molecular formula C18H29NO3 and a molecular weight of 307.21 g/mol. It is also known as TOPICAINE and dimethyl 3-nitrophthalate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-(Diethylamino)propyl 4-butoxybenzoate
Property Insights of 3-(Diethylamino)propyl 4-butoxybenzoate
The XLogP value of 5.0 indicates that 3-(Diethylamino)propyl 4-butoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(Diethylamino)propyl 4-butoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)propyl 4-butoxybenzoate has 0 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 3-(Diethylamino)propyl 4-butoxybenzoate?
The CAS number of 3-(Diethylamino)propyl 4-butoxybenzoate is 76-91-5.
What is the molecular formula of 3-(Diethylamino)propyl 4-butoxybenzoate?
The molecular formula of 3-(Diethylamino)propyl 4-butoxybenzoate is C18H29NO3.
What is the molecular weight of 3-(Diethylamino)propyl 4-butoxybenzoate?
The molecular weight of 3-(Diethylamino)propyl 4-butoxybenzoate is 307.21475 g/mol.
What are the applications of 3-(Diethylamino)propyl 4-butoxybenzoate?
3-(Diethylamino)propyl 4-butoxybenzoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(Diethylamino)propyl 4-butoxybenzoate (CAS 76-91-5) with custom synthesis available from milligram to...
Where can I buy 3-(Diethylamino)propyl 4-butoxybenzoate?
You can request a quote for 3-(Diethylamino)propyl 4-butoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Diethylamino)propyl 4-butoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 3-(Diethylamino)propyl 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.