(S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-chlorobenzonitrile
化学名:(S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-chlorobenzonitrile
CAS番号.1297537-41-7
英語名:(S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-chlorobenzonitrile
CBNumberCB43311505
MFC13H13ClN4
MW260.72
MOL File1297537-41-7.mol
(S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-chlorobenzonitrile物理性質
| 沸点 | 450.0±45.0 °C(Predicted) |
| 比重(密度) | 1.28±0.1 g/cm3(Predicted) |
| 酸解離定数(Pka) | 8.82±0.10(Predicted) |
| InChI | InChI=1S/C13H13ClN4/c1-9(16)8-18-5-4-13(17-18)10-2-3-11(7-15)12(14)6-10/h2-6,9H,8,16H2,1H3/t9-/m0/s1 |
| InChIKey | MQWGPHFTKXGETE-VIFPVBQESA-N |
| SMILES | C(#N)C1=CC=C(C2C=CN(C[C@@H](N)C)N=2)C=C1Cl |