3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1)
TL;DR: 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1) (CAS 30086-92-1) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxy-3-phenylpropyl)-dimethylazanium chloride
Also Known As: alpha-(2-(Dimethylamino)ethyl)benzyl alcohol benzoate (ester) hydrochloride, (3-benzoyloxy-3-phenylpropyl)-dimethylazanium chloride, BENZYL ALCOHOL, alpha-(2-(DIMETHYLAMINO)ETHYL)-, BENZOATE (ester), HYDROCHLORIDE, 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1), RefChem:1067090
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | -0.88 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 30086-92-1 |
|---|---|
| SMILES | C[NH+](C)CCC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | ADRZFRXMZARGLU-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1) (CAS 30086-92-1), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: (3-benzoyloxy-3-phenylpropyl)-dimethylazanium chloride.
Chemical Property Profile of 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1)
Property Insights of 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1)
The XLogP value of -0.88 indicates that 3-(Dimethylamino)-1-phenylpropyl benzoate--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-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-phenylpropyl benzoate--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
Frequently Asked Questions
What is the CAS number of 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1)?
The CAS number of 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1) is 30086-92-1.
What is the molecular formula of 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1) is C18H22ClNO2.
What is the molecular weight of 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1) is 319.13 g/mol.
Where can I buy 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.