Basic information
- CAS
2313-91-9- Standard SMILES
CC(=O)CNC(=O)Oc1cccc(C(C)(C)C)c1- InChIKey
VFVUAGKORQNCTL-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate
- IUPAC
- (3-tert-butylphenyl) N-(2-oxopropyl)carbamate
- English name
- N-Acetyl-N-methylcarbamic acid 3-(1,1-dimethylethyl)phenyl ester
- Molecular formula
- C14H19NO3
- Molecular weight
- 249.31
Names & synonyms
2313-91-9DTXSID209458083-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidateRefChem:1068796DTXCID201374111Upjohn U-24157ENT 27,264BRN 1983436AI3-27264Carbamic acid, acetylmethyl-, 3-(1,1-dimethylethyl)phenyl ester3-(1,1-Dimethylethyl)phenyl acetylmethylcarbamateU-24157
Show more names
Carbamic acid, acetylmethyl-, 3-(1,1-dimethylethyl)phenyl ester (9CI)
Carbamic acid, acetylmethyl-, m-tert-butylphenyl esterN-Acetyl-N-methylcarbamic acid 3-(1,1-dimethylethyl)phenyl ester
Database identifiers
- CAS
2313-91-9- PubChem CID
- 75333
- DTXSID
DTXSID20945808
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 146 · 146-147 °C(Press: 2 Torr)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- -2.37 · -2.37±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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