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1-(dimethylamino)-3-(9H-xanthen-9-yl)urea

HCID 21538024
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Basic information

Standard SMILES
CN(C)NC(=O)NC1c2ccccc2Oc2ccccc21
InChIKey
ZIKZLFAFMCEWOE-UHFFFAOYSA-N
Molecular formula
C16H17N3O2
Average molar mass
283.32 g/mol

Names & identifiers

Preferred name
1-(dimethylamino)-3-(9H-xanthen-9-yl)urea
IUPAC
1-(dimethylamino)-3-(9H-xanthen-9-yl)urea

Database identifiers

PubChem CID
21538024

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
53.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
353

Related reactions

4 records
New reaction record
HRID 90619 reaction equation
HRID 90619As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 137110 reaction equation
HRID 137110As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 209199 reaction equation
HRID 209199As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1232140 reaction equation
HRID 1232140As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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