Hydroxynefazodone
[CAS# 98159-82-1]

Identification

• Name: Hydroxynefazodone
• Synonyms: 2-[3-[4-(4-Chlorophenyl)-1-Piperazinyl]Propyl]-5-(1-Hydroxyethyl)-4-[2-(Phenoxy)Ethyl]-1,2,4-Triazol-3-One; Pdsp2_001784; 2-(3-(4-(3-Chlorophenyl)-1-Piperazinyl)Propyl)-2,4-Dihydro-5-(1-Hydroxyethyl)-4-(2-Phenoxyethyl)-3H-1,2,4-Triazol-3-One
• Molecular Formula: C₂₅H₃₂ClN₅O₃
• Molecular Weight: 486.01
• CAS Registry Number: 98159-82-1
• SMILES: C4=C(OCCN1C(N(N=C1C(O)C)CCCN2CCN(CC2)C3=CC=C(C=C3)Cl)=O)C=CC=C4
• InChI: 1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3
• InChIKey: PPJRQXMDFSRWFH-UHFFFAOYSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 635.147°C at 760 mmHg (Cal.)
• Flash point: 337.925°C (Cal.)