CAS 5355-68-0 1-(Isopropyl)-4-piperidone (HCID 79313)

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Basic information

CAS: 5355-68-0
Standard SMILES: CC(C)N1CCC(=O)CC1
InChIKey: CCDBCHAQIXKJCG-UHFFFAOYSA-N
Molecular formula: C8H15NO
Average molar mass: 141.214 g/mol
Monoisotopic mass: 141.1153641

Names & identifiers

Preferred name: 1-(Isopropyl)-4-piperidone
IUPAC: 1-(Propan-2-yl)piperidin-4-one
English name: 1-Isopropyl-4-piperidone
Molecular formula: C8H15NO
Molecular weight: 141.21

Names & synonyms

1-(1'-Methylethyl)-4-piperidoneTIMTEC-BB SBB005846isopropyl-4-piperidoneN-Isopropyl-4-piperidonN-Isopropyl-4-piperidone1-ISOPROPYL-4-PIPERIDONE4-Piperidone, 1-isopropyl-1-Isopropyl-4-piperidinoneN-Isopropyl-4-piperidinone1-ISOPROPYL-PIPERIDIN-4-ONE

Database identifiers

CAS: 5355-68-0
PubChem CID: 79313
DTXSID: DTXSID50201762
EC Number: 226-339-6
Nikkaji: J217.924E

Properties

Physicochemical properties

Melting point: 105 · 105-105.5 °C
Boiling point: 100 · 100-101 °C (27 mmHg)
Density: 0.95 · 0.95
refractive index: 1.465 · 1.465-1.467
Flash point: 100 · 100-101°C/27mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
pka: 8.18 · 8.18±0.20(Predicted)
color: Colorless to Brown
BRN: 107857 · 107857
InChI: InChI=1S/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3
InChIKey: CCDBCHAQIXKJCG-UHFFFAOYSA-N
SMILES: N1(C(C)C)CCC(=O)CC1
CAS DataBase Reference: 5355 · 5355-68-0(CAS DataBase Reference)
NIST Chemistry Reference: -4 · N-isopropyl-4-piperidone(5355-68-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 45 · 45-36/37/39-26-36-37
HS Code: 29333990 · 29333990