(R)-Benzyl (3-(2-((1-hydroxypropan-2-yl)oxy)phenyl)propyl)carbamate
Basic information
- CAS
874336-15-9- Standard SMILES
C[C@H](CO)Oc1ccccc1CCCNC(=O)OCc1ccccc1- InChIKey
XAOMMZLTYNYMRX-MRXNPFEDSA-N- Molecular formula
- C20H25NO4
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.17835828
Names & identifiers
- Preferred name
- (R)-Benzyl (3-(2-((1-hydroxypropan-2-yl)oxy)phenyl)propyl)carbamate
- IUPAC
- benzyl N-[3-[2-[(2R)-1-hydroxypropan-2-yl]oxyphenyl]propyl]carbamate
- English name
- CarbaMic acid, N-[3-[2-[(1R)-2-hydroxy-1-Methylethoxy]phenyl]propyl]-, phenylMethyl ester
- Molecular formula
- C20H25NO4
- Molecular weight
- 343.42
Names & synonyms
874336-15-9(R)-Benzyl (3-(2-((1-hydroxypropan-2-yl)oxy)phenyl)propyl)carbamateSCHEMBL8273356DTXSID00727023(R)-Benzyl(3-(2-((1-hydroxypropan-2-yl)oxy)phenyl)propyl)carbamateBenzyl (R)-(3-(2-((1-hydroxypropan-2-yl)oxy)phenyl)propyl)carbamateBenzyl [3-(2-{[(2R)-1-hydroxypropan-2-yl]oxy}phenyl)propyl]carbamate(R)-{3-[2-(2-Hydroxy-1-methyl-ethoxy)-phenyl]-propyl}-carbamic acid benzyl esterCarbaMic acid, N-[3-[2-[(1R)-2-hydroxy-1-Methylethoxy]phenyl]propyl]-, phenylMethyl ester
Database identifiers
- CAS
874336-15-9- PubChem CID
- 57528232
- DTXSID
DTXSID00727023
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 527.4 · 527.4±45.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.63 · 12.63±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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