Betaquil
Basic information
- CAS
709-90-0- Standard SMILES
CC(Cc1ccccc1)OC(N)=O- InChIKey
QWJRGNMSAAHHJP-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Betaquil
- IUPAC
- 1-phenylpropan-2-yl carbamate
- English name
- Carbamic acid α-methylphenethyl ester
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
BetaquilSa 217CARBAMIC ACID, alpha-METHYLPHENETHYL ESTERNSC 44683BRN 1871591709-90-0RefChem:1195471-phenylpropan-2-yl carbamateCarbamic acid, .alpha.-methylphenethyl esterWLN: ZVOY1&1RSCHEMBL1811694DTXSID901031936
Show more names
3-Phenyl-2-propyl carbamatCarbamic acid α-methylphenethyl esterBenzeneethanol,α-methyl-, 1-carbamateBenzeneethanol, α-methyl-, 1-carbamate
NSC44683NSC-44683
Database identifiers
- CAS
709-90-0- PubChem CID
- 12825
- DTXSID
DTXSID901031936- Nikkaji
- J42.913I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 311.75 °C · 311.75°C (rough estimate)
- Density
- 1.1248 · 1.1248 (rough estimate)
- refractive index
- 1.515 · 1.5150 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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