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3,4-Methylenedioxyphenethylamine hydrochloride

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

Technical Data

Safety and Hazards

Patents

Computed Properties

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 ℃
Density:	1.225 g/cm³
MDL:	MFCD00035193
LogP:	2.41880

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

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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:	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