Basic information
- CAS
106372-19-4- Standard SMILES
CC(C)OC(=O)N(C(N)=O)c1ccccc1- InChIKey
PJDBUJKWAAGPHW-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Overview
structure given in first source
Names & identifiers
- Preferred name
- Phenyl-2 isopropyl allophanate
- IUPAC
- propan-2-yl N-carbamoyl-N-phenylcarbamate
- English name
- phenyl-2 isopropyl allophanate
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
106372-19-4Phenyl-2 isopropyl allophanateSCS-289DTXSID50147590Carbamic acid, (aminocarbonyl)phenyl-, 1-methylethyl esterRefChem:172981DTXCID4070081(Aminocarbonyl)phenylcarbamic acid 1-methylethyl esterpropan-2-yl N-carbamoyl-N-phenylcarbamateScs 289Phenyl-2 allophanate d'isopropylePhenyl-2 allophanate d'isopropyle [French]
Show more names
Carbamic acid, (aminocarbonyl)phenyl-, 1-methylethyl ester (9CI)
Propan-2-yl carbamoyl(phenyl)carbamate
Database identifiers
- CAS
106372-19-4- PubChem CID
- 129309
- DTXSID
DTXSID50147590- Nikkaji
- J326.138G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 330.265 · 330.265±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.46 · 14.460±0.50(predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…