6-(2-Aminoethyl)-1H-indazole - CAS 1159511-47-3
Catalog: |
BB061518 |
Product Name: |
6-(2-Aminoethyl)-1H-indazole |
CAS: |
1159511-47-3 |
Synonyms: |
2-(1H-Indazol-6-yl)ethan-1-amine; 2-(2H-Indazol-6-yl)ethan-1-amine; 1H-Indazole-6-ethanamine |
IUPAC Name: | 2-(1H-indazol-6-yl)ethanamine |
Molecular Weight: | 161.2 |
Molecular Formula: | C9H11N3 |
Canonical SMILES: | C1=CC2=C(C=C1CCN)NN=C2 |
InChI: | InChI=1S/C9H11N3/c10-4-3-7-1-2-8-6-11-12-9(8)5-7/h1-2,5-6H,3-4,10H2,(H,11,12) |
InChI Key: | WPDRJEQNMNFKOY-UHFFFAOYSA-N |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Pale Yellow Solid |
Storage: | -20°C |
References: | Morrow, Benjamin J., et al. PCT Int. Appl., (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 |
Publication Number | Title | Priority Date |
BR-112020003477-A2 | compounds and method for treating a disease | 20170821 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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