CAS 618-42-8 1-Acetylpiperidine (HCID 12058)

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Basic information

CAS: 618-42-8
Standard SMILES: CC(=O)N1CCCCC1
InChIKey: KDISMIMTGUMORD-UHFFFAOYSA-N
Molecular formula: C7H13NO
Average molar mass: 127.18 g/mol
Monoisotopic mass: 127.09971404

Overview

1-acetylpiperidine is an N-acylpiperidine that is piperidine in which the hydrogen attached to the nitrogen is replaced by an acetyl group. It is a monocarboxylic acid amide and a N-acylpiperidine.

Names & identifiers

Preferred name: 1-Acetylpiperidine
IUPAC: 1-piperidin-1-ylethanone
English name: 1-Acetylpiperidine
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

1-ACETYLPIPERIDINE618-42-8Piperidine, 1-acetyl-1-(piperidin-1-yl)ethan-1-oneEthanone, 1-(1-piperidinyl)-NSC 2391-(1-piperidinyl)ethanoneEINECS 210-550-5BRN 0109570AI3-11533DTXSID7060679CHEBI:36591

Show more names

N-ACETYL PIPERIDINE1-acetyl-piperidin1-piperidinoethanonePiperidine,1-acetyl-1-Acetylpiperidine>Acetic acid, piperididemethyl1-piperidylketone

5-20-02-00440 (Beilstein Handbook Reference)RefChem:74827DTXCID5043130InChI=1/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1HKDISMIMTGUMORD-UHFFFAOYSA-N1-(Piperidin-1-yl)ethanoneN-AcetylpiperidineN-Acetylpiperidin

Database identifiers

CAS: 618-42-8
PubChem CID: 12058
DTXSID: DTXSID7060679
ChEMBL: CHEMBL12196
ChEBI: CHEBI:36591
UNII: 6YC8YEW5QR

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 105

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: -13.4 °C · -13.4°C
Boiling point: 226 °C · 226 °C
Density: 0 · 0,003 g/cm3
refractive index: 1.479 · 1.4790-1.4820
Flash point: 97 °C · 97°C
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: -0.41 · -0.41±0.20(Predicted)
color: Colorless to Light orange to Yellow
CAS DataBase Reference: 618 · 618-42-8(CAS DataBase Reference)
FDA UNII: 6 YC8YEW5QR · 6YC8YEW5QR
EPA Substance Registry System: 1 · Piperidine, 1-acetyl- (618-42-8)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 48% (36 of 75) of reports.

Warning

H315 (52%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 75 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (52%)

Safety data

tsca: TSCA listed
rtecs: TM3975000
hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(1-piperidinyl)-: INACTIVE

Applications

Uses1-Acetylpiperidine is used as a reactant in the preparation of benzopyranones and pyrimidoisoquinolinones for DNA-dependent protein kinase inhibitory activity.