2-(3,4-Diethoxyphenyl)ethanamine
Catalog: |
BB072551 |
Product Name: |
2-(3,4-Diethoxyphenyl)ethanamine |
Synonyms: |
3,4-Diethoxyphenethylamine; 3,4-Diethoxyphenylethylamine; 2-(3,4-diethoxyphenyl)ethanamine; 2-(3,4-Diethoxy-phenyl)-ethylamine; Benzeneethanamine, 3,4-diethoxy-; 2-(3,4-diethoxyphenyl)ethan-1-amine; 3,4-diethoxybenzeneethanamine; 3,4-diethyloxy phenyl ethylamine |
IUPAC Name: | 2-(3,4-diethoxyphenyl)ethanamine |
Description: | 2-(3,4-Diethoxyphenyl)ethanamine is a useful intermediate in the preparation of Drotaverine hydrochloride, an antispasmodic drug arising from papaverine class of biologically active compounds. |
Molecular Weight: | 209.28 |
Molecular Formula: | C12H19NO2 |
Canonical SMILES: | CCOC1=C(C=C(C=C1)CCN)OCC |
InChI: | InChI=1S/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3 |
InChI Key: | YOUNXJAJHCCMNK-UHFFFAOYSA-N |
References: | Turks, M., et al. Rigas Tehniskas Universitates Zinatniskie Raksti, Serija 1: Materialzinatne un Lietiska Kimija, 23, 107 (2011). |
GHS Hazard Statement: | H302 (33.33%): 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 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.141578849 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 44.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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