丙酮肟
TL;DR: 丙酮肟 (CAS 127-06-0) is a chemical compound with molecular formula C3H7NO and molecular weight 73.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酮肟
N-propan-2-ylidenehydroxylamine
Also Known As: Acetone oxime, Acetoxime, propan-2-one oxime, 2-Propanone, oxime, Acetonoxime
| Molecular Formula | C3H7NO |
|---|---|
| Molecular Weight | 73.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 73.052765 |
| Heavy Atoms | 5 |
| Complexity | 44.0 |
| Melting Point | 61 °C |
| Boiling Point | 133 °C |
| Density | Density: 0.9113 g/cm cu at 62 °C |
| Solubility | In water, 30.0 to 32.7% w/w at 20.0 °C |
| Vapor Pressure | 3.12 [mmHg] |
| Refractive Index | Refractive index = 1.4156 at 20 °C |
Chemical Identifiers
| CAS Number | 127-06-0 |
|---|---|
| SMILES | CC(=NO)C |
| InChIKey | PXAJQJMDEXJWFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酮肟 (CAS 127-06-0), with molecular formula C3H7NO and molecular weight 73.05 g/mol. IUPAC: N-propan-2-ylidenehydroxylamine.
Chemical Property Profile of 丙酮肟
Property Insights of 丙酮肟
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酮肟. With a topological polar surface area (TPSA) of 32.6 Ų, 丙酮肟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酮肟 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 丙酮肟?
The CAS number of 丙酮肟 is 127-06-0.
What is the molecular formula of 丙酮肟?
The molecular formula of 丙酮肟 is C3H7NO.
What is the molecular weight of 丙酮肟?
The molecular weight of 丙酮肟 is 73.05 g/mol.
Where can I buy 丙酮肟?
You can request a quote for 丙酮肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酮肟?
Yes, KEHONG BIO provides custom synthesis services for 丙酮肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.