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N-(3-phenylprop-2-enyl)-N'-pyridin-3-ylethane-1,2-diamine

HCID 54075551
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C(=Cc1ccccc1)CNCCNc1cccnc1
InChIKey
MJKPXAZATYXSIC-UHFFFAOYSA-N
Molecular formula
C16H19N3
Average molar mass
253.34 g/mol

Names & identifiers

Preferred name
N-(3-phenylprop-2-enyl)-N'-pyridin-3-ylethane-1,2-diamine
IUPAC
N-(3-phenylprop-2-enyl)-N'-pyridin-3-ylethane-1,2-diamine

Names & synonyms

SCHEMBL9677277

Database identifiers

PubChem CID
54075551

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
37 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
19
Formal charge
0
Complexity
246

Related reactions

3 records
New reaction record
HRID 200065 reaction equation
HRID 200065As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 799531 reaction equation
HRID 799531As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 936191 reaction equation
HRID 936191As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes