3-[[2-(2-Pyridyl)ethyl]amino]propanenitrile

HCID 2777366
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
91029-16-2
Standard SMILES
N#CCCNCCc1ccccn1
InChIKey
YKOCKSCGHBSOCO-UHFFFAOYSA-N
Molecular formula
C10H13N3
Average molar mass
175.23 g/mol
Monoisotopic mass
175.11094742

Names & identifiers

Preferred name
3-[[2-(2-Pyridyl)ethyl]amino]propanenitrile
IUPAC
3-(2-pyridin-2-ylethylamino)propanenitrile
English name
3-[[2-(2-Pyridyl)ethyl]amino]propanenitrile
Molecular formula
C10H13N3
Molecular weight
175.23

Names & synonyms

91029-16-23-[[2-(2-pyridyl)ethyl]amino]propanenitrile3-(2-pyridin-2-ylethylamino)propanenitrile3-[[2-(PYRIDIN-2-YL)ETHYL]AMINO]PROPANENITRILE3-{[2-(pyridin-2-yl)ethyl]amino}propanenitrileSCHEMBL4396684DTXSID60380496YKOCKSCGHBSOCO-UHFFFAOYSA-NAKOS0089626953-[(2-pyridin-2-ylethyl)amino]propanenitrilePropanenitrile, 3-[[2-(2-pyridinyl)ethyl]amino]-

Database identifiers

CAS
91029-16-2
PubChem CID
2777366
DTXSID
DTXSID60380496

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
48.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
13

Physicochemical properties

Boiling point
338.7 · 338.7±27.0 °C(Predicted)
Density
1.048 · 1.048±0.06 g/cm3(Predicted)
pka
7.61 · 7.61±0.19(Predicted)

Chemistry & industry

Suppliers7 total

广州伟伯科技有限公司[email protected]
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
MAYBR-INT—
深圳爱拓化学有限公司0755- 33239182 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

Loading…