2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride
TL;DR: 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride (CAS 64037-47-4) is a chemical compound with molecular formula C9H20ClNO and molecular weight 193.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl-(2-methyl-3-oxobutan-2-yl)-propan-2-ylazanium chloride
Also Known As: 3-(N-Methylisopropylamino)-3-methyl-2-butanone hydrochloride, methyl-(2-methyl-3-oxobutan-2-yl)-propan-2-ylazanium chloride, 2-BUTANONE, 3-(N-ISOPROPYL-N-METHYL)AMINO-3-METHYL-, HYDROCHLORIDE, 2-Butanone, 3-methyl-3-[methyl(1-methylethyl)amino]-, hydrochloride, RefChem:1062523
| Molecular Formula | C9H20ClNO |
|---|---|
| Molecular Weight | 193.12 g/mol |
| LogP | -2.72 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.12334 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 64037-47-4 |
|---|---|
| SMILES | CC(C)[NH+](C)C(C)(C)C(=O)C.[Cl-] |
| InChIKey | OAXDRCDZMQMCNG-UHFFFAOYSA-N |
Product Overview
2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride (CAS 64037-47-4), with molecular formula C9H20ClNO and molecular weight 193.12 g/mol. IUPAC: methyl-(2-methyl-3-oxobutan-2-yl)-propan-2-ylazanium chloride.
Chemical Property Profile of 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride
Property Insights of 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride
The XLogP value of -2.72 indicates that 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride has 1 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-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride?
The CAS number of 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride is 64037-47-4.
What is the molecular formula of 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride?
The molecular formula of 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride is C9H20ClNO.
What is the molecular weight of 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride?
The molecular weight of 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride is 193.12 g/mol.
Where can I buy 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride?
You can request a quote for 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-(N-isopropyl-N-methyl)amino-3-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.