C1CC(CCC1CN=C=O)CN=C=O
CAS: 10347-54-3
Name: 1,4-bis(isocyanatomethyl)cyclohexane
SMILES: C1CC(CCC1CN=C=O)CN=C=O

Molecular Processing

Molecular formula
C10H14N2O2
Molecular weight
194.23
Exact mass
194.1055
XLogP
1.46
TPSA
58.86
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
51.43

Supplementary Information

InChIKey: ROHUXHMNZLHBSF-UHFFFAOYSA-N
Synonyms
1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE10347-54-3EINECS 233-757-21,4-Bis(aminomethyl)cyclohexane diisocyanate1,4-Cyclohexane bis(methylisocyanate)Cyclohexane, 1,4-bis(isocyanatomethyl)-DTXSID2065046RefChem:73143DTXCID5032810233-757-21,4-Bis(methylisocyanate)cyclohexaneSCHEMBL443321,4-Bis(methylisocyanate)cyclohexane [Diisocyanates]SCHEMBL1081546SCHEMBL1081557ROHUXHMNZLHBSF-AOOOYVTPSA-NROHUXHMNZLHBSF-MGCOHNPYSA-N1,4-diisocyanato methylcyclohexaneDTXSID6010315011,4-bis(isocyanatomethyl)-cyclohexaneAKOS006276843"1,4-Bis(isocyanatomethyl)cyclohexane"1,4-bis-(isocyanato-methyl)-cyclohexanecis-1,4-bis(isocyanatomethyl)cyclohexane98458-83-4trans-1,4-bis(isocyanatomethyl)cyclohexaneNS00023239Cyclohexane, 1,a4-abis(isocyanatomethyla)a-a, trans-1,4-Bis(isocyanatomethyl)cyclohexane (ACI); Isocyanic acid, 1,4-cyclohexylenedimethylene ester (7CI); 1,4-Cyclohexanebis(methylene isocyanate); 1,4-H6XDI; Hydrogenated 1,4-XDI
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Involved in 13 reactions→

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