(Q4596864)

English

2-Br-4,5-MDA

chemical compound

6-Br-MDA
2-bromo-4,5-methylenedioxyamphetamine
1-(6-bromo-2H-1,3-benzodioxol-5-yl)propan-2-amine
1-(6-bromo-1,3-benzodioxol-5-yl)propan-2-amine

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Statements

instance of

group of stereoisomers

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subclass of

phenethylamine

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chemical structure

2-Bromo-MDA.svg
409 × 151; 11 KB

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mass

257.005140724 dalton

1 reference

based on heuristic

inferred from InChI

discoverer or inventor

Alexander Shulgin

publication date

1991

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chemical formula

C₁₁H₁₇NO₂Br

1 reference

imported from Wikimedia project

English Wikipedia

canonical SMILES

Brc1cc2c(OCO2)cc1CC(C)N

1 reference

imported from Wikimedia project

English Wikipedia

described by source

Phenethylamines I Have Known And Loved

author

Alexander Shulgin

series ordinal

15

full work available at URL

https://isomerdesign.com/PiHKAL/read.php?domain=pk&id=15

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Identifiers

InChI

InChI=1S/C10H12BrNO2/c1-6(12)2-7-3-9-10(4-8(7)11)14-5-13-9/h3-4,6H,2,5,12H2,1H3

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InChIKey

PHCFFGXVMHXBGD-UHFFFAOYSA-N

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CAS Registry Number

151920-03-5

2 references

imported from Wikimedia project

7 April 2021

https://commonchemistry.cas.org/detail?cas_rn=151920-03-5

InChIKey

PHCFFGXVMHXBGD-UHFFFAOYSA-N

ChemSpider ID

23552998

1 reference

imported from Wikimedia project

2 references

26 December 2021

matched by identifier from

InChIKey

PHCFFGXVMHXBGD-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL5304149

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PHCFFGXVMHXBGD-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

PHCFFGXVMHXBGD-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID30611103

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UNII

N54TW884MR

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matched by identifier from

InChIKey

PHCFFGXVMHXBGD-UHFFFAOYSA-N

Freebase ID

/m/02q8nh_

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(Q4596864)

2-Br-4,5-MDA

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