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Dimethyl-(5-vinyl-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulen-8-yl)amine

HCID 69736453
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C=CC1=CC2=CNC=C3CC(N(C)C)C(=C23)CO1
InChIKey
ZPIFENFARDJYOB-UHFFFAOYSA-N
Molecular formula
C15H18N2O
Average molar mass
242.32 g/mol

Names & identifiers

Preferred name
Dimethyl-(5-vinyl-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulen-8-yl)amine
IUPAC
10-ethenyl-N,N-dimethyl-11-oxa-6-azatricyclo[6.4.1.04,13]trideca-1(13),4,7,9-tetraen-2-amine

Names & synonyms

SCHEMBL6304588ZPIFENFARDJYOB-UHFFFAOYSA-NDimethyl-(5-vinyl-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulen-8-yl) amineDimethyl-(5-vinyl-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulen-8-yl)amine

Database identifiers

PubChem CID
69736453

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
24.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
521

Related reactions

2 records
New reaction record
HRID 25336 reaction equation
HRID 25336As reactantuspto-grants-2005_02
HRID 145136 reaction equation
HRID 145136As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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