CAS 931-20-4 N-Methyl-2-piperidone (HCID 13603)

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Basic information

CAS: 931-20-4
Standard SMILES: CN1CCCCC1=O
InChIKey: GGYVTHJIUNGKFZ-UHFFFAOYSA-N
Molecular formula: C6H11NO
Average molar mass: 113.16 g/mol
Monoisotopic mass: 113.08406397

Names & identifiers

Preferred name: N-Methyl-2-piperidone
IUPAC: 1-methylpiperidin-2-one
English name: 1-Methyl-2-piperidone
Molecular formula: C6H11NO
Molecular weight: 113.16

Names & synonyms

1-Methyl-2-piperidone931-20-4N-Methyl-2-piperidone2-Piperidinone, 1-methyl-1-Methyl-2-piperidinoneN-Methylvalerolactam2-Piperidone, 1-methyl-1-Methylpiperidine-2-oneN-METHYL-2-PIPERIDINONENSC 67384BRN 00017081T6L7S01J4

Show more names

1-methyl-2-piperidinon1-methyl-2-piperidon1-Methylpiperidin-2-on2-Piperidone,1-methyl-

EINECS 213-231-9AI3-11535NSC-673845-21-06-00398 (Beilstein Handbook Reference)DTXSID7061308RefChem:830403DTXCID40488541-Methylpiperidin-2-one

Database identifiers

CAS: 931-20-4
PubChem CID: 13603
DTXSID: DTXSID7061308
ChEMBL: CHEMBL12011
UNII: 1T6L7S01J4
EC Number: 213-231-9
Nikkaji: J109.354A

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 101

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point: 105 · 105-106 °C12 mm Hg(lit.)
Density: 1.029 g/mL · 1.029 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.482
Flash point: 196 °F · 196 °F
storage temp.: 2 · 2-8°C
pka: -0.41 · -0.41±0.20(Predicted)
form: liquid
Appearance: Colorless to light yellow Liquid
BRN: 1708 · 1708
InChI: 1S/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3
InChIKey: GGYVTHJIUNGKFZ-UHFFFAOYSA-N
SMILES: CN1CCCCC1=O
EWG's Food Scores: 1 · 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.