(N- Benzyl- N- ethyl) Amino- 3- Hydroxyacetophenone Hydrochloride - CAS 55845-90-4
Catalog: |
BB072408 |
Product Name: |
(N- Benzyl- N- ethyl) Amino- 3- Hydroxyacetophenone Hydrochloride |
CAS: |
55845-90-4 |
Synonyms: |
1-(3-Hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride; 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone; hydrochloride; Benzyletilefrone Hydrochloride; Etilefrone HCL; 2-(Benzylethyl-amino)-1-(3-hydroxyphenyl)ethanone Hydrochloride (Benzyletilefrone Hydrochloride) |
IUPAC Name: | 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanonehydrochloride |
Description: | (N- Benzyl- N- ethyl) Amino- 3- hydroxyacetophenone Hydrochloride is a reactant in acylation of Etilefrine prodrugs. |
Molecular Weight: | 269.34 + (36.46) |
Molecular Formula: | C17H19NO2·HCl |
Canonical SMILES: | CCN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O.Cl |
InChI: | InChI=1S/C17H19NO2.ClH/c1-2-18(12-14-7-4-3-5-8-14)13-17(20)15-9-6-10-16(19)11-15/h3-11,19H,2,12-13H2,1H31H |
InChI Key: | SKILLULCQGKLNZ-UHFFFAOYSA-N |
Melting Point: | >155↑8C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slighlty) |
Appearance: | Off-White to Pale Brown Solid |
Storage: | -20°C, Hygroscopic |
GHS Hazard Statement: | H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 |
Signal Word: | Danger |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.1182566 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.1182566 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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