2-丁酮肟
TL;DR: 2-丁酮肟 (CAS 96-29-7) is a chemical compound with molecular formula C4H9NO and molecular weight 87.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁酮肟
N-butan-2-ylidenehydroxylamine
Also Known As: 2-BUTANONE OXIME, Methyl ethyl ketoxime, Butanone oxime, 2-Butanone, oxime, 2-Butanoneoxime
| Molecular Formula | C4H9NO |
|---|---|
| Molecular Weight | 87.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 87.06841 |
| Heavy Atoms | 6 |
| Complexity | 58.0 |
| Melting Point | -29.5 °C |
| Boiling Point | 152.2 °C at 760 mmHg |
| Density | 0.9232 at 20.0 °C - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 58.9 °C |
| Vapor Pressure | 22.6 mmHg at 22.8 °C ; 50.9 mmHg at 47.8 °C |
| Refractive Index | = 1.4410 at 20 °C |
Chemical Identifiers
| CAS Number | 96-29-7 |
|---|---|
| SMILES | CCC(=NO)C |
| InChIKey | WHIVNJATOVLWBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁酮肟 (CAS 96-29-7), with molecular formula C4H9NO and molecular weight 87.07 g/mol. IUPAC: N-butan-2-ylidenehydroxylamine.
Chemical Property Profile of 2-丁酮肟
Property Insights of 2-丁酮肟
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁酮肟. With a topological polar surface area (TPSA) of 32.6 Ų, 2-丁酮肟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁酮肟 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 2-丁酮肟?
The CAS number of 2-丁酮肟 is 96-29-7.
What is the molecular formula of 2-丁酮肟?
The molecular formula of 2-丁酮肟 is C4H9NO.
What is the molecular weight of 2-丁酮肟?
The molecular weight of 2-丁酮肟 is 87.07 g/mol.
Where can I buy 2-丁酮肟?
You can request a quote for 2-丁酮肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁酮肟?
Yes, KEHONG BIO provides custom synthesis services for 2-丁酮肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.