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1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol structure
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1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol

TL;DR: 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol (CAS 111967-90-9) is a chemical compound with molecular formula C16H22N2O and molecular weight 258.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol

Also Known As: 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethan-1-ol, 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol, 4,5-Bis(dimethylamino)-alpha-methyl-1-naphthalenemethanol, 4,5-Bis(dimethylamino)-I+/--methyl-1-naphthalenemethanol

CAS Number
111967-90-9
Molecular Formula
C16H22N2O
Molecular Weight
258.17322 g/mol
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Technical Specifications

Molecular FormulaC16H22N2O
Molecular Weight258.17322 g/mol
XLogP2.9
Topological Polar Surface Area (TPSA)26.7 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds3
Exact Mass258.17322 Da
Heavy Atoms19
Complexity292.0
SMILESCC(C1=C2C=CC=C(C2=C(C=C1)N(C)C)N(C)C)O
InChIKeyFQSQSJQXIWCCID-UHFFFAOYSA-N

Chemical Property Profile of 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol

XLogP
2.9
TPSA (Topological Polar Surface Area)
26.7
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
19
Complexity
292.0
Exact Mass
258.17322
Monoisotopic Mass
258.17322
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 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol

The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol. With a topological polar surface area (TPSA) of 26.7 Ų, 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol?

The CAS number of 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol is 111967-90-9.

What is the molecular formula of 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol?

The molecular formula of 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol is C16H22N2O.

What is the molecular weight of 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol?

The molecular weight of 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol is 258.17322 g/mol.

Where can I buy 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol?

You can request a quote for 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol?

Yes, CoreyChem provides custom synthesis services for 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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