(S)-tert-Butyl (1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamate
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Basic information
- CAS
944470-56-8- Standard SMILES
CC(C)(C)OC(=O)N[C@H](CO)Cc1cccc(F)c1- InChIKey
HFOFNJNYQFXYDX-LBPRGKRZSA-N- Molecular formula
- C14H20FNO3
- Average molar mass
- 269.31 g/mol
Names & identifiers
- Preferred name
- (S)-tert-Butyl (1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamate
- IUPAC
- tert-butyl N-[(2S)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
- English name
- (S)-tert-Butyl (1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamate
- Molecular formula
- C14H20FNO3
- Molecular weight
- 269.31
Names & synonyms
944470-56-8(S)-tert-Butyl (1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamateMFCD28359279tert-butyl N-[(2S)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]carbamate(S)-tert-butyl(1-(3-Fluorophenyl)-3-hydroxypropan-2-yl)carbamate1,1-dimethylethyl [(1S)-2-(3-fluorophenyl)-1-(hydroxymethyl)ethyl]carbamateSCHEMBL10324438HFOFNJNYQFXYDX-LBPRGKRZSA-NAKOS027335668AS-48515SY245697DB-188973
Show more names
(S)-tert-Butyl (1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamate - [B72360]Carbamic acid, N-[(1S)-2-(3-fluorophenyl)-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
CS-0011431F50369(S)-2-(Boc-amino)-3-(3-fluorophenyl)propanolF513184Tert-butyl [(1s)-1-(3-fluorobenzyl)-2-hydroxyethyl]carbamatetert-butyl[(1S)-1-(3-fluorobenzyl)-2-hydroxyethyl]carbamatet-butyl (s)-(1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamatetert-butyl (S)-(1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamate
Database identifiers
- CAS
944470-56-8
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 409.7 · 409.7±40.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 11.81 · 11.81±0.46(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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