1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride
TL;DR: 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride (CAS 631-38-9) is a chemical compound with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-benzoyloxy-2-[(dimethylamino)methyl]butyl]-dimethylazanium chloride
Also Known As: Alypin hydrochloride, Amydricaine HCl, Amydricaine hydrochloride, Benzoyltetramethyldiaminopentanol hydrochloride, 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride
| Molecular Formula | C16H27ClN2O2 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.17612 |
| Heavy Atoms | 21 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 631-38-9 |
|---|---|
| SMILES | CCC(C[NH+](C)C)(CN(C)C)OC(=O)C1=CC=CC=C1.[Cl-] |
| InChIKey | FHHDPMSYDYZLAP-UHFFFAOYSA-N |
Product Overview
1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride (CAS 631-38-9), with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol. IUPAC: [2-benzoyloxy-2-[(dimethylamino)methyl]butyl]-dimethylazanium chloride.
Chemical Property Profile of 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride
Property Insights of 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride
The XLogP value of -2.3 indicates that 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride has 1 hydrogen bond donor(s) and 4 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 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride?
The CAS number of 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride is 631-38-9.
What is the molecular formula of 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride?
The molecular formula of 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride is C16H27ClN2O2.
What is the molecular weight of 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride?
The molecular weight of 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride is 314.18 g/mol.
Where can I buy 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride?
You can request a quote for 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis((dimethylamino)methyl)propyl benzoate monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.