Basic information
- CAS
5327-53-7- Standard SMILES
CC(C)OC(=O)Nc1ccc(O)cc1- InChIKey
POXFQOVRALEBPV-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- Carbamic acid, (4-hydroxyphenyl)-, 1-methylethyl ester
- IUPAC
- propan-2-yl N-(4-hydroxyphenyl)carbamate
- English name
- Carbamic acid, (4-hydroxyphenyl)-, 1-methylethyl ester
- Molecular formula
- C10H13NO3
- Molecular weight
- 195.22
Names & synonyms
5327-53-7Carbamic acid, (4-hydroxyphenyl)-, 1-methylethyl ester2MFY1KHU1YIsopropyl N-p-hydroxyphenylcarbamateNSC-3345NSC3345NSC 3345isopropyl (4-hydroxyphenyl)carbamate1-Methylethyl (4-hydroxyphenyl)carbamateUNII-2MFY1KHU1YDTXSID20201395ISOPROPYL 4-HYDROXYCARBANILATE
Show more names
AKOS011073165propan-2-yl (4-hydroxyphenyl)carbamateCARBANILIC ACID, P-HYDROXY-, ISOPROPYL ESTERCARBAMIC ACID, N-(4-HYDROXYPHENYL)-, 1-METHYLETHYL ESTER
Database identifiers
- CAS
5327-53-7- PubChem CID
- 94802
- DTXSID
DTXSID20201395- UNII
- 2MFY1KHU1Y
- Nikkaji
- J1.986.868K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 111 · 111-113 °C
- Boiling point
- 278.3 · 278.3±23.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 10.22 · 10.22±0.26(Predicted)
- FDA UNII
- 2 MFY1KHU1Y · 2MFY1KHU1Y
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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