Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate - CAS 37033-95-7
Catalog: |
BB046762 |
Product Name: |
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate |
CAS: |
37033-95-7 |
Synonyms: |
Ethyl 5-benzyloxyindole-2-carboxylate; 5-Benzyloxy-2-carbethoxyindole; 5-Benzyloxyindole-2-carboxylic acid ethyl ester; 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid ethyl ester; 5-BzlO-ICA-OEt; NSC 30931 |
IUPAC Name: | ethyl 5-phenylmethoxy-1H-indole-2-carboxylate |
Description: | Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate (CAS# 37033-95-7 ) is a useful research chemical. |
Molecular Weight: | 295.33 |
Molecular Formula: | C18H17NO3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C18H17NO3/c1-2-21-18(20)17-11-14-10-15(8-9-16(14)19-17)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3 |
InChI Key: | DCIFXYFKVKDOLL-UHFFFAOYSA-N |
Boiling Point: | 481.4±30.0 °C (Predicted) |
Melting Point: | 163 °C |
Purity: | ≥ 97 % |
Density: | 1.225±0.06 g/cm3 (Predicted) |
Appearance: | Powder |
Storage: | -20 °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: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.1208434 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 51.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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