3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
TL;DR: 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 67031-83-8) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrolidin-1-ium-1-ylpropyl benzoate chloride
Also Known As: gamma-Pyrrolidinopropyl benzoate hydrochloride, 3-pyrrolidin-1-ium-1-ylpropyl benzoate chloride, BENZOIC ACID, 3-(PYRROLIDINO)PROPYL ESTER, HYDROCHLORIDE, 1-Pyrrolidinepropanol, benzoate (ester), hydrochloride, 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
| Molecular Formula | C14H20ClNO2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | -2.08 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.11826 |
| Heavy Atoms | 18 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 67031-83-8 |
|---|---|
| SMILES | C1CC[NH+](C1)CCCOC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | GJWOQFCKOBCHFL-UHFFFAOYSA-N |
Product Overview
3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 67031-83-8), with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol. IUPAC: 3-pyrrolidin-1-ium-1-ylpropyl benzoate chloride.
Chemical Property Profile of 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
Property Insights of 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
The XLogP value of -2.08 indicates that 3-(Pyrrolidin-1-yl)propyl 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-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyrrolidin-1-yl)propyl 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-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The CAS number of 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 67031-83-8.
What is the molecular formula of 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is C14H20ClNO2.
What is the molecular weight of 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 269.12 g/mol.
Where can I buy 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Pyrrolidin-1-yl)propyl 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-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.