N,N-5-Trimethyl-1H-indole-3-ethanamine - CAS 22120-39-4
Catalog: |
BB057139 |
Product Name: |
N,N-5-Trimethyl-1H-indole-3-ethanamine |
CAS: |
22120-39-4 |
Synonyms: |
3-[2-(Dimethylamino)ethyl]-5-methylindole; 5-Methyl-N,N-dimethyltryptamine; NSC 88623 |
IUPAC Name: | N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine |
Description: | N,N-5-Trimethyl-1H-indole-3-ethanamine is used in the synthesis of 3-fluorooxindole derivatives that have potential pharmaceutical application, such as in the production of antimigrane drugs. |
Molecular Weight: | 202.3 |
Molecular Formula: | C13H18N2 |
Canonical SMILES: | CC1=CC2=C(C=C1)NC=C2CCN(C)C |
InChI: | InChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,8-9,14H,6-7H2,1-3H3 |
InChI Key: | NCGJLYBZSJSCIC-UHFFFAOYSA-N |
Melting Point: | 94-96°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Light Beige Solid |
Storage: | Refrigerator |
References: | Seki, T. et al. J. Fluor. Chem., 132, 181 (2011). |
GHS Hazard Statement: | H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P271, P304+P340, and P317 |
Signal Word: | Warning |
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Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.146998583 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.146998583 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 19Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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