Basic information
- CAS
518038-34-1- Standard SMILES
C[C@@H](C=O)CNC(=O)OC(C)(C)C- InChIKey
HTBNREYQOZPEQT-SSDOTTSWSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[(2R)-2-methyl-3-oxopropyl]carbamate
- IUPAC
- tert-butyl N-[(2R)-2-methyl-3-oxopropyl]carbamate
- English name
- Carbamic acid, [(2R)-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.24
Names & synonyms
518038-34-1tert-Butyl (R)-(2-methyl-3-oxopropyl)carbamateBoc-(R)-3-amino-2-methylpropanalFmoc-(R)-3-amino-2-methylpropanalCarbamic acid, N-[(2R)-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl esterCarbamic acid, [(2R)-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
518038-34-1- Nikkaji
- J1.893.640B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 279.9 · 279.9±23.0 °C(Predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
- pka
- 12.34 · 12.34±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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