3-(Aminomethyl)indole - CAS 22259-53-6
Catalog: |
BB017478 |
Product Name: |
3-(Aminomethyl)indole |
CAS: |
22259-53-6 |
Synonyms: |
1H-indol-3-ylmethanamine; 1H-indol-3-ylmethanamine |
IUPAC Name: | 1H-indol-3-ylmethanamine |
Description: | 3-(Aminomethyl)indole (CAS# 22259-53-6) is an indolic Tryptophan-derived metabolite with antifungal defense properties against Arabidopsis mlo2 mutant. |
Molecular Weight: | 146.19 |
Molecular Formula: | C9H10N2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN2)CN |
InChI: | InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2 |
InChI Key: | JXYGLMATGAAIBU-UHFFFAOYSA-N |
Melting Point: | 104 - 107 °C |
Appearance: | Pink powder |
MDL: | MFCD01631210 |
LogP: | 2.32690 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111635334-A | Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex | 20200713 |
WO-2021211123-A1 | Adjuvant-antibiotic combination against gram-negative bacteria | 20200416 |
CN-111153848-A | Method for synthesizing 3-aminomethyl indole compound by non-catalytic Mannich reaction | 20200117 |
CN-110790923-A | Gamma-polyglutamic acid-graft-indole structure primary amine and preparation method and application thereof | 20191012 |
WO-2021050708-A1 | Benzyl amine-containing 5,6-heteroaromatic compounds useful against mycobacterial infection | 20190910 |
PMID | Publication Date | Title | Journal |
22563729 | 20120524 | Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators | Journal of medicinal chemistry |
22137599 | 20120101 | Discovery of inhibitors and substrates of brassinin hydrolase: Probing selectivity with dithiocarbamate bioisosteres | Bioorganic & medicinal chemistry |
21380439 | 20110421 | Dinuclear zinc catalyzed asymmetric Friedel-Crafts amidoalkylation of indoles with aryl aldimines | Organic & biomolecular chemistry |
20695753 | 20110401 | Synthesis and in vitro antifungal evaluation of 2-(2,4-difluorophenyl)-1-[(1H-indol-3-ylmethyl)methylamino]-3-(1H-1,2,4-triazol-1-yl)propan-2-ols | Journal of enzyme inhibition and medicinal chemistry |
20386849 | 20100507 | Squaramide-catalyzed enantioselective Friedel-Crafts reaction of indoles with imines | Chemical communications (Cambridge, England) |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Amines and Anilines
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