4-[2-(Pyridin-4-yl)ethyl]aniline

HCID 233288CAS 6318-70-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(CCc2ccncc2)cc1
InChIKey
WKYRHDRKURSPJM-UHFFFAOYSA-N
Molecular formula
C13H14N2
Average molar mass
198.26 g/mol
Monoisotopic mass
198.11569846

Names & identifiers

Preferred name
4-[2-(Pyridin-4-yl)ethyl]aniline
IUPAC
4-(2-pyridin-4-ylethyl)aniline
English name
4-(2-Pyridin-4-yl-ethyl)-phenylamine
Molecular formula
C13H14N2
Molecular weight
198.26

Names & synonyms

4-[2-(pyridin-4-yl)ethyl]aniline1185296-27-84-(2-pyridin-4-ylethyl)aniline[4-(2-pyridin-4-ylethyl)phenyl]amine6318-70-34-(2-(Pyridin-4-yl)ethyl)aniline[4-(2-pyridin-4-ylethyl)phenyl]amine dihydrochloride4-(2-(4-pyridyl)ethyl)phenylamineNSC31685MFCD06149961SCHEMBL619244-[2-(4-pyridyl)ethyl]aniline
Show more names
Benzenamine, 4-[2-(4-pyridinyl)ethyl]-
DTXSID70283464WKYRHDRKURSPJM-UHFFFAOYSA-NALBB-025149NSC-31685SBB008708AKOS0033455824-(2-pyridin-4-yl-ethyl)-phenylamineST059926

Database identifiers

CAS
6318-70-3
PubChem CID
233288
DTXSID
DTXSID70283464

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
38.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Melting point
111 · 111-112 °C(Solv: benzene (71-43-2))
Boiling point
347 · 347.0±22.0 °C(Predicted)
Density
1 · 1+-.0.06 g/cm3(Predicted)
pka
6.05 · 6.05±0.10(Predicted)

Chemistry & industry

Suppliers2 total

Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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