Tert-butyl (S)-but-3-EN-2-ylcarbamate
Basic information
- CAS
115378-33-1- Standard SMILES
C=C[C@H](C)NC(=O)OC(C)(C)C- InChIKey
KIFRIUDSLUQLOC-ZETCQYMHSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (S)-but-3-EN-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S)-but-3-en-2-yl]carbamate
- English name
- Carbamic acid, [(1S)-1-methyl-2-propenyl]-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
115378-33-1TERT-BUTYL (S)-BUT-3-EN-2-YLCARBAMATECarbamic acid, [(1S)-1-methyl-2-propenyl]-, 1,1-dimethylethyl ester (9CI)TERT-BUTYL N-[(2S)-BUT-3-EN-2-YL]CARBAMATEtert-Butyl (1S)-1-methylprop-2-enylcarbamateSCHEMBL12634867KIFRIUDSLUQLOC-ZETCQYMHSA-NAT298522-methylpropan-2-yl {[(2S)-but-3-en-2-yl]amino}methanoateCarbamic acid, N-[(1S)-1-methyl-2-propen-1-yl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
115378-33-1- Nikkaji
- J2.178.446J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 231.7 · 231.7±19.0 °C(Predicted)
- Density
- 0.926 · 0.926±0.06 g/cm3(Predicted)
- pka
- 12.11 · 12.11±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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