138401-24-8

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
EINECS(EC#) 423-500-4
Molecular Formula C25H27N3O
MDL Number MFCD06658242
Molecular Weight 385.5
MOL File 138401-24-8.mol
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Chemical 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)

Safety Data

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 Information

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