CAS: 4098-71-9
名称: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
SMILES:
CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C分子加工
分子式
C12H18N2O2
分子量
222.29
精确质量
222.1368
XLogP
2.24
TPSA
58.86
氢键给体数
0
氢键受体数
4
可旋转键
3
重原子数
16
环数
1
芳香环
0
饱和环
1
脂环
1
立体中心
2
未定义立体
2
形式电荷
0
杂原子数
4
共价单元
1
sp3占比
0.833
摩尔折射率
60.64
补充信息
InChIKey: NIMLQBUJDJZYEJ-UHFFFAOYSA-N
同义词
ISOPHORONE DIISOCYANATE4098-71-9IPDI5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexaneIsophorone diamine diisocyanateCyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanateDTXSID00238263-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanateIsocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) esterCHEBI:532143,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanateDTXCID90382643B08565281,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexaneRefChem:76413-isocyanatomethyl-3,5,5-trimethylcyclohexyl-isocyanate223-861-6MFCD000649561-isocyanato-3-isocyanatomethyl-3,5,5-trimethylcyclohexaneCAS-4098-71-9CCRIS 6252HSDB 6337EINECS 223-861-6UN2290BRN 2726467Vestanat IPDI
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