Tert-butyl (1-carbamoylcyclohexyl)carbamate
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Basic information
- CAS
223648-39-3- Standard SMILES
CC(C)(C)OC(=O)NC1(C(N)=O)CCCCC1- InChIKey
NMVVJZXGEJPLBD-UHFFFAOYSA-N- Molecular formula
- C12H22N2O3
- Average molar mass
- 242.31 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (1-carbamoylcyclohexyl)carbamate
- IUPAC
- tert-butyl N-(1-carbamoylcyclohexyl)carbamate
- English name
- (1-Carbamoyl-cyclohexyl)-carbamic acid tert-butyl ester
- Molecular formula
- C12H22N2O3
- Molecular weight
- 242.31
Names & synonyms
223648-39-3tert-butyl (1-carbamoylcyclohexyl)carbamateTert-butyl N-(1-carbamoylcyclohexyl)carbamatetert-butyl [1-(aminocarbonyl)cyclohexyl]carbamateSCHEMBL2087505STL096160AKOS005723976BS-4519tert-butyl(1-carbamoylcyclohexyl)carbamateDB-101856CS-0128060tert-butyl 1-carbamoylcyclohexylcarbamate
Show more names
(1-Carbamoyl-cyclohexyl)-carbamic acid tert-butyl esterCarbamic acid, N-[1-(aminocarbonyl)cyclohexyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
223648-39-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 421.6 · 421.6±15.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 11.05 · 11.05±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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