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4-(Pyridin-4-yl)butan-2-amine

HCID 12136641
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Basic information

Standard SMILES
CC(N)CCc1ccncc1
InChIKey
KLMKQKKMDYLMOF-UHFFFAOYSA-N
Molecular formula
C9H14N2
Average molar mass
150.22 g/mol

Names & identifiers

Preferred name
4-(Pyridin-4-yl)butan-2-amine
IUPAC
4-pyridin-4-ylbutan-2-amine

Names & synonyms

114425-75-14-Pyridinepropanamine,alpha-methyl-(9CI)4-(Pyridin-4-yl)butan-2-amine4-pyridin-4-ylbutan-2-amine4-(3-Aminobutyl)pyridineSCHEMBL1677867KLMKQKKMDYLMOF-UHFFFAOYSA-NPEA42575AKOS014775518EN300-321754

Database identifiers

PubChem CID
12136641

Properties

Computed structural propertiesFilling in

XLogP
1
Topological polar surface area
38.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
97.7

Related reactions

6 records
New reaction record
HRID 11454 reaction equation
HRID 11454As productuspto-grants-2006_08
HRID 18396 reaction equation
HRID 18396As productuspto-grants-2010_06
HRID 1393158 reaction equation
HRID 1393158As productuspto-grants-2008_03
HRID 1563684 reaction equation
HRID 1563684As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1725851 reaction equation
HRID 1725851As productuspto-grants-2009_02
HRID 2075889 reaction equation
HRID 2075889As productuspto-grants-2011_04

Compound notes

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