931335-89-6
英文名称
PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-(4-MORPHOLINYL)-, 1,1-DIMETHYLETHYL ESTER
CAS
931335-89-6
分子式
C16H24N4O3
分子量
320.39
MOL 文件
931335-89-6.mol
结构式
基本信息
英文别名
tert-butyl 2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-(4-MORPHOLINYL)-, 1,1-DIMETHYLETHYL ESTER
PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-(4-MORPHOLINYL)-, 1,1-DIMETHYLETHYL ESTER
物理化学性质
| 沸点 | 497.0±55.0 °C(Predicted) |
| 密度 | 1.212±0.06 g/cm3(Predicted) |
| 酸度系数(pKa) | 3.75±0.20(Predicted) |
| 形态 | solid |
| InChI | 1S/C16H24N4O3/c1-16(2,3)23-15(21)20-5-4-13-12(11-20)10-17-14(18-13)19-6-8-22-9-7-19/h10H,4-9,11H2,1-3H3 |
| InChIKey | AYKSWBSUTXGXHZ-UHFFFAOYSA-N |
| SMILES | O=C(OC(C)(C)C)N(CC1)CC(C=N2)=C1N=C2N3CCOCC3 |
安全数据
| WGK Germany | WGK 3 |
| 存储类别 | 11 - Combustible Solids |
| 危险性类别 | Aquatic Acute 1 Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 |