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138401-24-8

138401-24-8 Structure

138401-24-8 Structure
IdentificationMore
[Name]

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile
[CAS]

138401-24-8
[Synonyms]

[1,1'-BIPHENYL]-2-CARBONITRILE, 4'-[(2-BUTYL-4-OXO-1,3-DIAZASPIRO[4.4]NON-1-EN-3-YL)METHYL]-
[1,1'-BIPHENYL]-2-CARBONITRILE-4-[(2-BUTYL-4-OXO-1,3-DIAZASPIRO[4.4]NON-1-EN-3-YL)METHYL]
4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile
4'-[(2-BUTYL-4-OXO-1,3-DIAZASPIRO[4.4]NON-1-EN-3-YL)METHYL]BIPHENYL-2-CARBONITRILE
4'-[(2-N-BUTYL-4-OXO-1,3-DIAZASPIRO[4.4]NON-1-EN-3-YL)METHYL]-[1,1'-BIPHENYL]-2-CARBONITRILE
[1.1'-Biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1.3-diazaspiro[4.4]non-1-en-3-y
4'-[(2-Butyl-4-oxo-1,3-diazasp
4-(2-butyl-1,3-diazaspiro-[4-4] no-1-en-3-yl-methyl)biphenyl-2-carbonitrile
4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile
[1,1'-Biphenyl]-2-carbonitrile,4'-[(2-butyl-4-oxo-1,3-
diazaspiro[4.4]non-1-en-3-yl)methyl]-
[EINECS(EC#)]

423-500-4
[Molecular Formula]

C25H27N3O
[MDL Number]

MFCD06658242
[Molecular Weight]

385.5
[MOL File]

138401-24-8.mol
Chemical PropertiesBack Directory
[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)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
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 ]

R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

3077
[HS Code ]

2933.29.4300
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile is WHite Solid
[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).
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