CAS 767263-33-2 4-(Pyridin-2-yl)piperidine-4-carbonitrile (HCID 53363271)

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Basic information

CAS: 767263-33-2
Standard SMILES: N#CC1(c2ccccn2)CCNCC1
InChIKey: VXQVGWZSCZUOKK-UHFFFAOYSA-N
Molecular formula: C11H13N3
Average molar mass: 187.24 g/mol
Monoisotopic mass: 187.11094742

Names & identifiers

Preferred name: 4-(Pyridin-2-yl)piperidine-4-carbonitrile
IUPAC: 4-pyridin-2-ylpiperidine-4-carbonitrile
English name: 4-(pyridin-2-yl)piperidine-4-carbonitrile
Molecular formula: C11H13N3
Molecular weight: 187.24

Names & synonyms

4-(Pyridin-2-yl)piperidine-4-carbonitrile767263-33-24-pyridin-2-ylpiperidine-4-carbonitrileMFCD180716274-(2-Pyridyl)piperidine-4-carbonitrile4-PIPERIDINECARBONITRILE, 4-(2-PYRIDINYL)-SCHEMBL761352DTXSID40693637VXQVGWZSCZUOKK-UHFFFAOYSA-NSFB26333AKOS0175154014-pyridin-2-ylpiperidine4-carbonitrile

Show more names

SB42331AS-81919SY198615DB-331791CS-0132495E79091EN300-200703F618541

Database identifiers

CAS: 767263-33-2
PubChem CID: 53363271
DTXSID: DTXSID40693637
EC Number: 154-230-2

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 48.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 234

Physicochemical properties

Boiling point: 371.4 · 371.4±42.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
pka: 8.74 · 8.74±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.