U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C12H17BrN2O2
Molecular Weight 301.18
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2C-B-PP

SMILES

COC1=CC(Br)=C(OC)C=C1N2CCNCC2

InChI

InChIKey=JLAQUWGWRNMYGA-UHFFFAOYSA-N
InChI=1S/C12H17BrN2O2/c1-16-11-8-10(12(17-2)7-9(11)13)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H17BrN2O2
Molecular Weight 301.18
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
9AF4JQU2FM
Record Status Validated (UNII)
Record Version