6-Benzyloxyindole - CAS 15903-94-3
Catalog: |
BB046656 |
Product Name: |
6-Benzyloxyindole |
CAS: |
15903-94-3 |
Synonyms: |
6-(Benzyloxy)-1H-indole; 6-(phenylmethoxy)indole; 6-(Phenylmethoxy)-1H-indole; 6-(Benzyloxy)-indole; NSC 92538 |
Application: |
Indole derivative, as antiviral and antitumor agent. |
IUPAC Name: | 6-phenylmethoxy-1H-indole |
Description: | Indole derivative, as antiviral and antitumor agent. |
Molecular Weight: | 223.27 |
Molecular Formula: | C15H13NO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CN3 |
InChI: | InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h1-10,16H,11H2 |
InChI Key: | FPMICYBCFBLGOZ-UHFFFAOYSA-N |
Boiling Point: | 411.6±20.0 °C (Predicted) |
Melting Point: | 116-119 °C |
Purity: | 96.0 % |
Density: | 1.196±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform (Slightly), Diethyl Ether (Slightly), Ethanol (Slightly), Ethyl Acetate |
Appearance: | White to off-white solid |
Storage: | 2-8 °C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 25 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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