1,3-Benzodioxolylbutanamine (BDB)

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Systematic / IUPAC Name: 1-(1,3-Benzodioxol-5-yl)-2-butanamine

ID: Reference586

Other Names: (3,4-Methylenedioxyphenyl)-2-butanamine;
α-Ethyl-1,3-benzodioxole-5-ethanamine;
1,3-Benzodioxole-5-ethanamine, α-ethyl-;
1-(1,3-Benzodioxol-5-yl)butan-2-amine;
1-MDPBA

Formula: C11H15NO2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

1,3-Benzodioxolylbutanamine (BDB) mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 181
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/8/2016 5:40:51 AM
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Identificators

InChI InChI=1S/C11H15NO2/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,2,5,7,12H2,1H3
InChI Key VHMRXGAIDDCGDU-UHFFFAOYSA-N
Canonical SMILES CCC(CC1=CC2=C(C=C1)OCO2)N
CAS 107447030
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Other Names (3,4-Methylenedioxyphenyl)-2-butanamine;
α-Ethyl-1,3-benzodioxole-5-ethanamine;
1,3-Benzodioxole-5-ethanamine, α-ethyl-;
1-(1,3-Benzodioxol-5-yl)butan-2-amine;
1-MDPBA;
1,3-Benzodioxolylbutanamine

In Other Databases

ChEMBL CHEMBL61507
ChemIDPlus 107447030
Wikipedia 1,3-Benzodioxolylbutanamine
PubChem 129870
ChemSpider 114963