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2,2,3-Trimethylbutane structure
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2,2,3-Trimethylbutane

TL;DR: 2,2,3-Trimethylbutane (CAS 464-06-2) is a chemical compound with molecular formula C7H16 and molecular weight 100.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2,2,3-trimethylbutane

Also Known As: Triptan, 2,2,3-TRIMETHYLBUTANE, Triptane, trimethylbutane, Tryptamines

CAS Number
464-06-2
Molecular Formula
C7H16
Molecular Weight
100.1252 g/mol
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Application Areas

Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (146 patents) Analytical Reagents (15 patents) Biotechnology (20 patents) Catalysts (137 patents) Coatings & Adhesives (14 patents)

Technical Specifications

Molecular FormulaC7H16
Molecular Weight100.1252 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)0.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors0
Rotatable Bonds1
Exact Mass100.1252 Da
Heavy Atoms7
Complexity45.0
Vapor Pressure102.0 [mmHg]
SMILESCC(C)C(C)(C)C
InChIKeyZISSAWUMDACLOM-UHFFFAOYSA-N

Product Description

Applications: 2,2,3-Trimethylbutane is used in complex organic molecule assembly across discovery and process chemistry, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,2,3-Trimethylbutane (CAS 464-06-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

2,2,3-Trimethylbutane is a organic building block identified by CAS number 464-06-2 and the molecular formula C7H16 and a molecular weight of 100.13 g/mol. It is also known as Triptan and 2,2,3-TRIMETHYLBUTANE.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 2,2,3-Trimethylbutane

XLogP
3.3
TPSA (Topological Polar Surface Area)
0.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
Rotatable Bonds
1
Heavy Atoms
7
Complexity
45.0
Exact Mass
100.1252
Monoisotopic Mass
100.1252
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 2,2,3-Trimethylbutane

The XLogP value of 3.3 indicates that 2,2,3-Trimethylbutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2,3-Trimethylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3-Trimethylbutane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2,2,3-Trimethylbutane?

The CAS number of 2,2,3-Trimethylbutane is 464-06-2.

What is the molecular formula of 2,2,3-Trimethylbutane?

The molecular formula of 2,2,3-Trimethylbutane is C7H16.

What is the molecular weight of 2,2,3-Trimethylbutane?

The molecular weight of 2,2,3-Trimethylbutane is 100.1252 g/mol.

What are the applications of 2,2,3-Trimethylbutane?

2,2,3-Trimethylbutane is used in complex organic molecule assembly across discovery and process chemistry, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,2,3-Trimethylbutane (CAS...

Where can I buy 2,2,3-Trimethylbutane?

You can request a quote for 2,2,3-Trimethylbutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2,2,3-Trimethylbutane?

Yes, CoreyChem provides custom synthesis services for 2,2,3-Trimethylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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