1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DECAN-4-ONE , 95% , 1021-25-6

CAS NO.：1021-25-6

Empirical Formula: C13H17N3O

Molecular Weight: 231.29

MDL number: MFCD00005977

EINECS: 213-819-5

PRODUCT Properties

• Melting point: 188-191 °C
• Boiling point: 373.38°C (rough estimate)
• Density: 1.0744 (rough estimate)
• refractive index: 1.5700 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• solubility: DMSO (Slightly), Methanol (Slightly)
• pka: 15.08±0.20(Predicted)
• form: Solid
• color: White to Pale Beige
• InChI: InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
• InChIKey: HTQWGIHCFPWKAS-UHFFFAOYSA-N
• SMILES: N1(C2=CC=CC=C2)C2(CCNCC2)C(=O)NC1
• CAS DataBase Reference: 1021-25-6(CAS DataBase Reference)

Description and Uses

1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one is a metabolite of long acting neuroleptic agent Fluspirilene (F599800). 1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one is also a basic metabolite formed from butyrophenone type agents.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P271-P280
• Hazard Codes: Xn
• Risk Statements: 22
• Safety Statements: 22-24/25
• WGK Germany: 3
• F: 10
• HS Code: 29339980