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)CMolecular Processing
Molecular formula
C12H18N2O2
Molecular weight
222.29
Exact mass
222.1368
XLogP
2.24
TPSA
58.86
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
60.64
Supplementary Information
InChIKey: NIMLQBUJDJZYEJ-UHFFFAOYSA-N
同義語
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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