3,4-Methylenedioxyphenethylamine hydrochloride - CAS 1653-64-1
Catalog: |
BB012187 |
Product Name: |
3,4-Methylenedioxyphenethylamine hydrochloride |
CAS: |
1653-64-1 |
Synonyms: |
2-(1,3-benzodioxol-5-yl)ethanamine;hydrochloride |
IUPAC Name: | 2-(1,3-benzodioxol-5-yl)ethanamine;hydrochloride |
Description: | 3,4-Methylenedioxyphenethylamine hydrochloride (CAS# 1653-64-1) is used in the synthesis of bifendate derivatives as anticancer agents through Pgp inhibition. |
Molecular Weight: | 201.65 |
Molecular Formula: | C9H11NO2 · HCl |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)CCN.Cl |
InChI: | InChI=1S/C9H11NO2.ClH/c10-4-3-7-1-2-8-9(5-7)12-6-11-8;/h1-2,5H,3-4,6,10H2;1H |
InChI Key: | NDYXFQODWGEGNU-UHFFFAOYSA-N |
Boiling Point: | 166 °C |
Density: | 1.225 g/cm3 |
MDL: | MFCD00035193 |
LogP: | 2.41880 |
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 |
Publication Number | Title | Priority Date |
CN-109320492-A | The method for preparing homopiperony lamine hydrochloride and berberine | 20181130 |
US-2020131431-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
WO-2020086309-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
CN-109001342-A | A kind of efficient liquid phase method detecting N-2,3- veratryl homopiperony lamine and its salt content | 20180930 |
CN-108358912-A | A kind of green synthesis process of berberine | 20180228 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0556563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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