8-Benzyl-3-exo-(5-isopropyl-3-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
한글명:8-Benzyl-3-exo-(5-isopropyl-3-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
카스 번호423165-13-3
상품명:8-Benzyl-3-exo-(5-isopropyl-3-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
CBNumberCB41475489
분자식C20H28N4
포뮬러 무게324.46
MOL 파일423165-13-3.mol
화학적 성질
녹는점 | 149 ºC |
끓는 점 | 481.5±55.0 °C(Predicted) |
밀도 | 1.20 |
저장 조건 | 2-8°C |
용해도 | soluble in Chloroform, Dichloromethane |
물리적 상태 | 고체 |
물리적 상태 | 단단한 모양 |
산도 계수 (pKa) | 9.71±0.40(Predicted) |
색상 | 갈색 |
InChI | InChI=1/C20H28N4/c1-14(2)20-22-21-15(3)24(20)19-11-17-9-10-18(12-19)23(17)13-16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3/t17-,18+,19- |
InChIKey | YHGHRIAZABSSGB-REPLKXPHNA-N |
SMILES | C1C[C@]2([H])C[C@@H](N3C(C(C)C)=NN=C3C)C[C@@]1([H])N2CC1C=CC=CC=1 |&1:2,5,16,r| |