Butanal, oxime
TL;DR: Butanal, oxime (CAS 110-69-0) 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.
N-butylidenehydroxylamine
Also Known As: BUTYRALDOXIME, Butanal oxime, Butyraldehyde oxime, Butanal, oxime, n-Butyraldoxime
| Molecular Formula | C4H9NO |
|---|---|
| Molecular Weight | 87.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 87.06841 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
| Melting Point | -29.5 °C |
| Boiling Point | 152.2 °C at 760 mmHg |
| Density | 0.923 - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 57.8 °C |
Chemical Identifiers
| CAS Number | 110-69-0 |
|---|---|
| SMILES | CCCC=NO |
| InChIKey | KGGVGTQEGGOZRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanal, oxime (CAS 110-69-0), with molecular formula C4H9NO and molecular weight 87.07 g/mol. IUPAC: N-butylidenehydroxylamine.
Chemical Property Profile of Butanal, oxime
Property Insights of Butanal, oxime
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanal, oxime. With a topological polar surface area (TPSA) of 32.6 Ų, Butanal, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanal, oxime 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 Butanal, oxime?
The CAS number of Butanal, oxime is 110-69-0.
What is the molecular formula of Butanal, oxime?
The molecular formula of Butanal, oxime is C4H9NO.
What is the molecular weight of Butanal, oxime?
The molecular weight of Butanal, oxime is 87.07 g/mol.
Where can I buy Butanal, oxime?
You can request a quote for Butanal, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanal, oxime?
Yes, KEHONG BIO provides custom synthesis services for Butanal, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.