1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride
TL;DR: 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride (CAS 102071-80-7) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.1339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-methyl-2-(propan-2-ylamino)propyl] benzoate;hydrochloride
Also Known As: 2-(Isopropylamino)-2-methyl-1-propanol benzoate hydrochloride, 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride, [2-methyl-2-(propan-2-ylamino)propyl] benzoate hydrochloride, 2-Methyl-2-[(propan-2-yl)amino]propyl benzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C14H22ClNO2 |
| Molecular Weight | 271.1339 g/mol |
| XLogP | 3.0418 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.1339 Da |
| Heavy Atoms | 18 |
| Complexity | 243.0 |
| SMILES | CC(C)NC(C)(C)COC(=O)C1=CC=CC=C1.Cl |
| InChIKey | AWMSKCXMXBVVQT-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride
Property Insights of 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride
The XLogP value of 3.0418 indicates that 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride has 2 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 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride?
The CAS number of 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride is 102071-80-7.
What is the molecular formula of 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride?
The molecular formula of 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride is C14H22ClNO2.
What is the molecular weight of 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride?
The molecular weight of 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride is 271.1339 g/mol.
Where can I buy 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride?
You can request a quote for 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-Propanol, 2-(isopropylamino)-2-methyl-, benzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.