2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride
TL;DR: 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride (CAS 22820-57-1) is a chemical compound with molecular formula C13H22ClNO and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-4-phenylbutyl)-propan-2-ylazanium chloride
Also Known As: 1-(Isopropylamino)-4-phenyl-2-butanol hydrochloride, (2-hydroxy-4-phenylbutyl)-propan-2-ylazanium chloride, 2-BUTANOL, 1-(ISOPROPYLAMINO)-4-PHENYL-, HYDROCHLORIDE, RefChem:257752
| Molecular Formula | C13H22ClNO |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | -2.04 |
| Topological Polar Surface Area | 36.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.13899 |
| Heavy Atoms | 16 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 22820-57-1 |
|---|---|
| SMILES | CC(C)[NH2+]CC(CCC1=CC=CC=C1)O.[Cl-] |
| InChIKey | AMGCRUQHQDQXOG-UHFFFAOYSA-N |
Product Overview
2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride (CAS 22820-57-1), with molecular formula C13H22ClNO and molecular weight 243.14 g/mol. IUPAC: (2-hydroxy-4-phenylbutyl)-propan-2-ylazanium chloride.
Chemical Property Profile of 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride
Property Insights of 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride
The XLogP value of -2.04 indicates that 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.8 Ų, 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride has 2 hydrogen bond donor(s) and 2 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-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride?
The CAS number of 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride is 22820-57-1.
What is the molecular formula of 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride?
The molecular formula of 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride is C13H22ClNO.
What is the molecular weight of 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride?
The molecular weight of 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride is 243.14 g/mol.
Where can I buy 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride?
You can request a quote for 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.