3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)
TL;DR: 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1) (CAS 73747-23-6) is a chemical compound with molecular formula C17H28ClNO2 and molecular weight 313.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[3-(2-phenylbutanoyloxy)propyl]azanium chloride
Also Known As: 3-(Diethylamino)propyl 2-phenylbutyrate hydrochloride, diethyl-[3-(2-phenylbutanoyloxy)propyl]azanium chloride, Propanol, 3-(diethylamino)-, 2-phenylbutyrate hydrochloride, alpha-Phenyl-butyrate du diethylamino-propanolchlorhydrate, alpha-Phenyl-butyrate du diethylamino-propanolchlorhydrate [French]
Technical Specifications
| Molecular Formula | C17H28ClNO2 |
| Molecular Weight | 313.18085 g/mol |
| XLogP | -0.96 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 313.18085 Da |
| Heavy Atoms | 21 |
| Complexity | 258.0 |
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCCC[NH+](CC)CC.[Cl-] |
| InChIKey | SMLCJXXABWLANF-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)
Property Insights of 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)
The XLogP value of -0.96 indicates that 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (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, 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (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 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)?
The CAS number of 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1) is 73747-23-6.
What is the molecular formula of 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1) is C17H28ClNO2.
What is the molecular weight of 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1) is 313.18085 g/mol.
Where can I buy 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.