1308657-79-5

Name BHQ-1 amine
CAS 1308657-79-5
Molecular Formula C25H29N7O3
Molecular Weight 475.54
MOL File 1308657-79-5.mol
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Chemical Properties

Boiling point  673.7±55.0 °C(Predicted)
density  1.23±0.1 g/cm3(Predicted)
pka 9.93±0.10(Predicted)
InChI InChI=1S/C25H29N7O3/c1-17-6-11-21(24(14-17)32(33)34)28-29-22-16-25(35-4)23(15-18(22)2)30-27-19-7-9-20(10-8-19)31(3)13-5-12-26/h6-11,14-16H,5,12-13,26H2,1-4H3
InChIKey WNHATIZJCRCMEU-UHFFFAOYSA-N
SMILES C(N(C1=CC=C(N=NC2=CC(C)=C(N=NC3=CC=C(C)C=C3[N+]([O-])=O)C=C2OC)C=C1)C)CCN

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