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2,3-Dihydro-6,7-methylenedioxy-1,4-benzodioxin-2-methanamine

HCID 19745017
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NCC1COc2cc3c(cc2O1)OCO3
InChIKey
WSOLRUZYYFYAJQ-UHFFFAOYSA-N
Molecular formula
C10H11NO4
Average molar mass
209.2 g/mol
Monoisotopic mass
209.06880783

Names & identifiers

Preferred name
2,3-Dihydro-6,7-methylenedioxy-1,4-benzodioxin-2-methanamine
IUPAC
6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethanamine

Names & synonyms

SCHEMBL9198274WSOLRUZYYFYAJQ-UHFFFAOYSA-N2,3-Dihydro-6,7-methylenedioxy-1,4-benzodioxin-2-methanamine

Database identifiers

PubChem CID
19745017

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
62.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
237

Related reactions

5 records
New reaction record
HRID 1228572 reaction equation
HRID 1228572As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2141229 reaction equation
HRID 2141229As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2254302 reaction equation
HRID 2254302As reactantuspto-grants-1993_08
HRID 2254303 reaction equation
HRID 2254303As reactantuspto-grants-1993_08
HRID 2314758 reaction equation
HRID 2314758As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes