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(1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime structure
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(1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime

TL;DR: (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime (CAS 58609-72-6) is a chemical compound with molecular formula C13H19NO and molecular weight 205.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[2-[4-(2-methylpropyl)phenyl]propylidene]hydroxylamine

Also Known As: 1-Ethoxy-2-methoxybenzene, 2-(4-Isobutylphenyl)propionaldehyde oxime, (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime, N-[2-[4-(2-methylpropyl)phenyl]propylidene]hydroxylamine, Benzeneacetaldehyde, a-methyl-4-(2-methylpropyl)-,oxime

CAS Number
58609-72-6
Molecular Formula
C13H19NO
Molecular Weight
205.14667 g/mol
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Application Areas

Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.

Organic Building Blocks (1 patents)

Technical Specifications

Molecular FormulaC13H19NO
Molecular Weight205.14667 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)32.6 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors2
Rotatable Bonds4
Exact Mass205.14667 Da
Heavy Atoms15
Complexity193.0
SMILESCC(C)CC1=CC=C(C=C1)C(C)C=NO
InChIKeyTVVYFXMDNBMONX-UHFFFAOYSA-N

Chemical Property Profile of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime

XLogP
3.7
TPSA (Topological Polar Surface Area)
32.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
Rotatable Bonds
4
Heavy Atoms
15
Complexity
193.0
Exact Mass
205.14667
Monoisotopic Mass
205.14667
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime

The XLogP value of 3.7 indicates that (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-2-[4-(2-methylpropyl)phenyl]propanal 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

What is the CAS number of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime?

The CAS number of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime is 58609-72-6.

What is the molecular formula of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime?

The molecular formula of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime is C13H19NO.

What is the molecular weight of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime?

The molecular weight of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime is 205.14667 g/mol.

Where can I buy (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime?

You can request a quote for (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime?

Yes, CoreyChem provides custom synthesis services for (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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