3,4-Dimethoxy-N-methylphenethylamine hydrochloride - CAS 13078-76-7
Catalog: |
BB007171 |
Product Name: |
3,4-Dimethoxy-N-methylphenethylamine hydrochloride |
CAS: |
13078-76-7 |
Synonyms: |
2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride |
IUPAC Name: | 2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride |
Description: | An impurity of Verapamil. Verapamil is a medication used for the treatment of high blood pressure, chest pain from not enough blood flow to the heart, and supraventricular tachycardia. |
Molecular Weight: | 231.72 |
Molecular Formula: | C11H18ClNO2 |
Canonical SMILES: | CNCCC1=CC(=C(C=C1)OC)OC.Cl |
InChI: | InChI=1S/C11H17NO2.ClH/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;/h4-5,8,12H,6-7H2,1-3H3;1H |
InChI Key: | BGEONUMCBIQUTQ-UHFFFAOYSA-N |
Boiling Point: | 294.4 °C at 760 mmHg |
Density: | 0.998 g/cm3 |
MDL: | MFCD00067697 |
LogP: | 2.65860 |
GHS Hazard Statement: | H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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-101928274-A | Peperphentonamine derivative | 20090626 |
CN-101928274-B | Peperphentonamine derivative | 20090626 |
EP-2222629-A1 | Process for preparing n-methyl-3, 4 dimethoxyphenylethylamine | 20071226 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.1026065 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.1026065 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 30.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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