Basic information
- CAS
68092-73-9- Standard SMILES
O=C=NCc1cccc(NC(=O)OCCOC(=O)Nc2cccc(CN=C=O)c2)c1- InChIKey
XFIRHQKNSMDAHH-UHFFFAOYSA-N- Molecular formula
- C20H18N4O6
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.12263431
Names & identifiers
- Preferred name
- Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester
- IUPAC
- 2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate
- English name
- ethylene (3-isocyanatomethylphenyl)-carbamate
- Molecular formula
- C20H18N4O6
- Molecular weight
- 410.38012
Names & synonyms
68092-73-9EINECS 268-471-7Carbamic acid, (3-isocyanatomethylphenyl)-, 1,2-ethanediyl esterCarbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) esterRefChem:123403Ethylene (3-isocyanatomethylphenyl)-carbamateDTXSID90987538XFIRHQKNSMDAHH-UHFFFAOYSA-NNS00063571Ethane-1,2-diyl bis{hydrogen [3-(isocyanatomethyl)phenyl]carbonimidate}Bis[[3-(isocyanatomethyl)phenyl]carbamic acid]1,2-ethanediyl ester
Database identifiers
- CAS
68092-73-9- PubChem CID
- 106580
- DTXSID
DTXSID90987538- EC Number
- 268-471-7
- Nikkaji
- J317.315A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- EPA Substance Registry System
- Carbamic acid, (3-isocyanatomethylphenyl)-, 1,2-ethanediyl ester (68092-73-9)
- 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-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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