2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)
TL;DR: 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 67049-55-2) is a chemical compound with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3-morpholin-4-ium-4-ylpropyl) benzoate chloride
Also Known As: beta,beta-Dimethyl-gamma-4-morpholinepropyl benzoate hydrochloride, BENZOIC ACID, (2,2-DIMETHYL-3-MORPHOLINOPROPYL) ESTER, HYDROCHLORIDE, (2,2-dimethyl-3-morpholin-4-ium-4-ylpropyl) benzoate chloride, 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1), 4-Morpholinepropanol, .beta.,.beta.-dimethyl-, benzoate (ester), hydrochloride
| Molecular Formula | C16H24ClNO3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | -2.21 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.14447 |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 67049-55-2 |
|---|---|
| SMILES | CC(C)(C[NH+]1CCOCC1)COC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | WSAZEGSMPZRNFX-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 67049-55-2), with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol. IUPAC: (2,2-dimethyl-3-morpholin-4-ium-4-ylpropyl) benzoate chloride.
Chemical Property Profile of 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)
Property Insights of 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)
The XLogP value of -2.21 indicates that 2,2-Dimethyl-3-(morpholin-4-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 40.0 Ų, 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1) 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 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)?
The CAS number of 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1) is 67049-55-2.
What is the molecular formula of 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1) is C16H24ClNO3.
What is the molecular weight of 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1) is 313.14 g/mol.
Where can I buy 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 2,2-Dimethyl-3-(morpholin-4-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 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.