CAS 30818-11-2 1-(Piperidin-4-yl)ethan-1-one (HCID 2723764)

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Basic information

CAS: 30818-11-2
Standard SMILES: CC(=O)C1CCNCC1
InChIKey: STNLQJRBZHAGSO-UHFFFAOYSA-N
Molecular formula: C7H13NO
Average molar mass: 127.18 g/mol
Monoisotopic mass: 127.09971404

Names & identifiers

Preferred name: 1-(Piperidin-4-yl)ethan-1-one
IUPAC: 1-piperidin-4-ylethanone
English name: Ethanone, 1-(4-piperidinyl)- (9CI)
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

1-(piperidin-4-yl)ethan-1-oneRefChem:428337818-422-61-(Piperidin-4-yl)ethanone30818-11-21-piperidin-4-ylethanone4-ACETYL-PIPERIDINEEthanone, 1-(4-piperidinyl)-1-(4-piperidinyl)ethanone1-(4-piperidyl)ethanone4-acetylpiperidine1-piperidin-4-yl-ethanone

Show more names

Ethanone,1-(4-piperidinyl)-

Ethanone, 1-(4-piperidinyl)- (9CI)SCHEMBL417402SCHEMBL578586SCHEMBL27418930SCHEMBL27524334DTXSID60369100STNLQJRBZHAGSO-UHFFFAOYSA-NAKOS006347670

Database identifiers

CAS: 30818-11-2
PubChem CID: 2723764
DTXSID: DTXSID60369100
EC Number: 818-422-6
Nikkaji: J342.932F

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 105

Physicochemical properties

Boiling point: 66 °C · 66 °C
Density: 0.95 · 0.950±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 9.83 · 9.83±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

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, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501