3,4-Methylenedioxy-β-phenylethylamine hydrochloride

C9H12ClNO2CAS 1653-64-1201.65 g/mol

Open in Covalent MOL file
HClH2NOO
AcetalEtherPrimary amine

Properties

Molecular formula
C9H12ClNO2
Molar mass
201.65 g/mol
Exact mass
201.0557 Da
Melting point
208–209 °C
logP
1.34Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1653-64-1
SMILES
Cl.NCCc1ccc2c(c1)OCO2
InChIKey
NDYXFQODWGEGNU-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1)
  • Phenethylamine, 3,4-(methylenedioxy)-, hydrochloride
  • 1,3-Benzodioxole-5-ethanamine, hydrochloride
  • 2-(3,4-Methylenedioxyphenyl)ethylamine hydrochloride
  • 3,4-Methylenedioxyphenethylamine hydrochloride
  • 3,4-(Methylenedioxy)phenylethylamine hydrochloride
  • 2-(3,4-Methylenedioxyphenyl)ethylamine chlorohydrate
  • [2-(Benzodioxol-5-yl)ethyl]amine hydrochloride

Work with 3,4-Methylenedioxy-β-phenylethylamine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,3-Benzodioxole-5-ethanamine1484-85-1Free base

Similar compounds

3,4-Diethoxybenzeneethanamine61381-04-265 % similar Benzo-1,3-dioxole-5-methylamine2620-50-059 % similar 3,4-Dimethoxyphenethylamine120-20-759 % similar 3-Methoxy-4-hydroxyphenylethylamine hydrochloride1477-68-553 % similar 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-053 % similar Piperonyl chloride20850-43-550 % similar Piperonyl alcohol495-76-150 % similar Dopamine hydrochloride62-31-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

H-Phg-ome hcl15028-39-4 Methyl 3-(aminomethyl)benzoate hydrochloride17841-68-8 D-Phenylglycine methyl ester hydrochloride19883-41-1 Benzocaine hydrochloride23239-88-5 Glycine benzyl ester monohydrochloride2462-31-9 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-1 Methyl 4-(aminomethyl)benzoate hydrochloride6232-11-7 N-Benzylglycine hydrochloride7689-50-1

Elsewhere

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