4'-((2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile , 95+% , 138401-24-8

CAS NO.：138401-24-8

Empirical Formula: C25H27N3O

Molecular Weight: 385.5

MDL number: MFCD06658242

EINECS: 423-500-4

PRODUCT Properties

• Melting point: 95-97°C
• Boiling point: 576.5±60.0 °C(Predicted)
• Density: 1.15
• vapor pressure: 0Pa at 20℃
• storage temp.: Sealed in dry,Room Temperature
• solubility: soluble in Methanol
• form: Crystalline
• pka: 2.45±0.20(Predicted)
• color: White to Almost white
• InChI: InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3
• InChIKey: KWEQEHOPDHARIA-UHFFFAOYSA-N
• SMILES: C1(C2=CC=C(CN3C(=O)C4(CCCC4)N=C3CCCC)C=C2)=CC=CC=C1C#N
• LogP: 3.7 at 20℃ and pH7
• Surface tension: 72.5mN/m at 1.025mg/L and 20℃
• CAS DataBase Reference: 138401-24-8(CAS DataBase Reference)

Description and Uses

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile is a butyldiazaspirononenone derivative used in the preparation of acetylcholinesterase inhibitors. An impurity found in Irbesartan (I751000).

Safety

• Symbol(GHS): GHS07,GHS09
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319-H410
• Precautionary statements: P261-P264-P270-P271-P273-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P391-P501
• Hazard Codes: N
• Risk Statements: 50/53
• Safety Statements: 60-61
• RIDADR: 3077
• HS Code: 2933.29.4300