N~1~-[1-(Pyridin-4-yl)ethyl]propane-1,3-diamine

HCID 20192829

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Basic information

CAS: 89151-15-5
Standard SMILES: CC(NCCCN)c1ccncc1
InChIKey: WYZRPHUTAWHOAY-UHFFFAOYSA-N
Molecular formula: C10H17N3
Average molar mass: 179.26 g/mol
Monoisotopic mass: 179.14224756

Names & identifiers

Preferred name: N~1~-[1-(Pyridin-4-yl)ethyl]propane-1,3-diamine
IUPAC: N'-(1-pyridin-4-ylethyl)propane-1,3-diamine

Names & synonyms

89151-15-5SCHEMBL10735443DTXSID30603381WYZRPHUTAWHOAY-UHFFFAOYSA-NN-[1-(4-pyridyl)ethyl]-1,3-diaminopropaneN~1~-[1-(Pyridin-4-yl)ethyl]propane-1,3-diamine

Database identifiers

CAS: 89151-15-5
PubChem CID: 20192829
DTXSID: DTXSID30603381

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 121

Related reactions

2 records

New reaction record

HRID 1154319As productuspto-grants-1984_12

HRID 1568254As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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