Basic information
- CAS
57983-76-3- Standard SMILES
CCCCC(NC(=O)C(F)(F)F)C(=O)OC(C)CC- InChIKey
OBLZBDBZXAWHCY-UHFFFAOYSA-N- Molecular formula
- C12H20F3NO3
- Average molar mass
- 283.29 g/mol
- Monoisotopic mass
- 283.13952799
Names & identifiers
- Preferred name
- Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate
- IUPAC
- butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]hexanoate
- English name
- Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate
- Molecular formula
- C12H20F3NO3
- Molecular weight
- 283.29
Names & synonyms
57983-76-3Sec-Butyl N-(Trifluoroacetyl)NorleucinateSec-butyl 2-[(trifluoroacetyl)amino]hexanoateDTXSID60338654Butan-2-yl N-(trifluoroacetyl)norleucinateN-(Trifluoroacetyl)-L-norleucine 1-methylpropyl esterL-Norleucine, N-(trifluoroacetyl)-, 1-methylpropyl ester (9CI)
Database identifiers
- CAS
57983-76-3- PubChem CID
- 550503
- DTXSID
DTXSID60338654
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 306.201 · 306.201±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.689 · 9.689±0.46(predicted)
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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