(1R,3S,5S)-3-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE
化学名:(1R,3S,5S)-3-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE
CAS番号.423165-07-5
英語名:(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
CBNumberCB31564885
MFC13H22N4
MW234.35
MOL File423165-07-5.mol
别名
(1R,3S,5S)-3-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE
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(1R,3S,5S)-3-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE物理性質
融点 | 117 ºC |
沸点 | 402.4±55.0 °C(Predicted) |
比重(密度) | 1.31 |
貯蔵温度 | Keep in dark place,Inert atmosphere,2-8°C |
溶解性 | クロロホルム |
酸解離定数(Pka) | 10.71±0.40(Predicted) |
外見 | 個体 |
色 | オフホワイトからペールイエロー |
InChI | InChI=1/C13H22N4/c1-8(2)13-16-15-9(3)17(13)12-6-10-4-5-11(7-12)14-10/h8,10-12,14H,4-7H2,1-3H3/t10-,11+,12- |
InChIKey | CEIRCCADSFHOQD-ZSBIGDGJNA-N |
SMILES | C(C1=NN=C(C)N1[C@@H]1C[C@H]2CC[C@H](N2)C1)(C)C |&1:7,9,12,r| |