This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
acetamides
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Solvent:ethanol, Max Conc. mg/mL: 20.23, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 20.23, Max Conc. mM: 100
Point d'ébullition (°C)
200°C/0.2mmHg(lit.)
Point de fusion (°C)
74-78℃
Poids moléculaire
202.250 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
202.111 Da
Monoisotopic Mass
202.111 Da
Topological Polar Surface Area
44.900 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
230.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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Foire aux questions
What is the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1016-47-3, the molecular formula is C12H14N2O, and the molecular weight is 202.26 g/mol. InChIKey NVUGEQAEQJTCIX-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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