2-(4-Methyl-1H-indol-3-yl)ethan-1-amine - CAS 62500-89-4
Catalog: |
BB058970 |
Product Name: |
2-(4-Methyl-1H-indol-3-yl)ethan-1-amine |
CAS: |
62500-89-4 |
Synonyms: |
1h-indole-3-ethanamine, 4-methyl-; 2-(4-methyl-1H-indol-3-yl)ethan-1-amine; 2-(4-methyl-1H-indol-3-yl)ethanamine; 4-methyltryptamine; 4-MET |
IUPAC Name: | 2-(4-methyl-1H-indol-3-yl)ethanamine |
Description: | 2-(4-Methyl-1H-indol-3-yl)ethan-1-amine can be useful in the preparation of fascaplysin derivatives as potent multi-target agents against Alzheimer's disease. |
Molecular Weight: | 174.24 |
Molecular Formula: | C11H14N2 |
Canonical SMILES: | CC1=C2C(=CC=C1)NC=C2CCN |
InChI: | InChI=1S/C11H14N2/c1-8-3-2-4-10-11(8)9(5-6-12)7-13-10/h2-4,7,13H,5-6,12H2,1H3 |
InChI Key: | QCUCAQZMPVIYAJ-UHFFFAOYSA-N |
References: | Pan, H., et al. ACS Chem. Neurosci., 10, 4741 (2019). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
16481164 | 20060501 | Substrate specificity of strictosidine synthase | Bioorganic & medicinal chemistry letters |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.115698455 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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