Carbamic acid, N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-, C,C'-(oxydi-2,1-ethanediyl) ester
Basic information
- CAS
68975-84-8- Standard SMILES
CC1(C)CC(N=C=O)CC(C)(CNC(=O)OCCOCCOC(=O)NCC2(C)CC(N=C=O)CC(C)(C)C2)C1- InChIKey
GEAXSAZVMULMFV-UHFFFAOYSA-N- Molecular formula
- C28H46N4O7
- Average molar mass
- 550.7 g/mol
- Monoisotopic mass
- 550.33664982
Names & identifiers
- Preferred name
- Carbamic acid, N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-, C,C'-(oxydi-2,1-ethanediyl) ester
- IUPAC
- 2-[2-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxy]ethoxy]ethyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
- English name
- oxydiethylene bis[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate]
- Molecular formula
- C28H46N4O7
- Molecular weight
- 550.69
Names & synonyms
EINECS 273-483-0Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, oxydi-2,1-ethanediyl esterCarbamic acid, N-((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, C,C'-(oxydi-2,1-ethanediyl) esterCarbamic acid, [(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-, oxydi-2,1-ethanediyl esterCarbamic acid, N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-, C,C'-(oxydi-2,1-ethanediyl) esterRefChem:57396968975-84-8DTXSID80988736GEAXSAZVMULMFV-UHFFFAOYSA-NOxydiethylene bis(((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)carbamate)Oxydi(ethane-2,1-diyl) bis{hydrogen [(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbonimidate}oxydiethylene bis[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate]
Show more names
Bis[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamic acid]oxydi(2,1-ethanediyl) ester
Database identifiers
- CAS
68975-84-8- PubChem CID
- 112131
- DTXSID
DTXSID80988736- EC Number
- 273-483-0
- Nikkaji
- J310.663B
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 868
Physicochemical properties
- Boiling point
- 638.509 · 638.509±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.173 · 1.173±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.13 · 12.130±0.46(predicted)
- EPA Substance Registry System
- Carbamic acid, [(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-, oxydi-2,1-ethanediyl ester (68975-84-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamic acid, N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-, C,C'-(oxydi-2,1-ethanediyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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