2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)
TL;DR: 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1) (CAS 31721-79-6) is a chemical compound with molecular formula C17H20ClNO2 and molecular weight 305.11826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-benzoyloxy-2-phenylethyl)-dimethylazanium chloride
Also Known As: (2-benzoyloxy-2-phenylethyl)-dimethylazanium chloride, alpha-((Dimethylamino)methyl)benzyl alcohol benzoate (ester) hydrochloride, BENZYL ALCOHOL, alpha-((DIMETHYLAMINO)METHYL)-, BENZOATE (ester), HYDROCHLORIDE, 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)
Technical Specifications
| Molecular Formula | C17H20ClNO2 |
| Molecular Weight | 305.11826 g/mol |
| XLogP | -1.27 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.11826 Da |
| Heavy Atoms | 21 |
| Complexity | 291.0 |
| SMILES | C[NH+](C)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | VEPRHILTQNNKNO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)
Property Insights of 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)
The XLogP value of -1.27 indicates that 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)?
The CAS number of 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1) is 31721-79-6.
What is the molecular formula of 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)?
The molecular formula of 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1) is C17H20ClNO2.
What is the molecular weight of 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)?
The molecular weight of 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1) is 305.11826 g/mol.
Where can I buy 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)?
You can request a quote for 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)?
Yes, CoreyChem provides custom synthesis services for 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.