2-[[2-(Chloroamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
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Basic information
- CAS
104716-41-8- Standard SMILES
CC(C)(NC(=O)C(C)(C)NCl)C(=O)O- InChIKey
DBACAHFMFHZEFS-UHFFFAOYSA-N- Molecular formula
- C8H15ClN2O3
- Average molar mass
- 222.67 g/mol
Names & identifiers
- Preferred name
- 2-[[2-(Chloroamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
- IUPAC
- 2-[[2-(chloroamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
- English name
- Alanine, N-(N-chloro-2-methylalanyl)-2-methyl- (9CI)
- Molecular formula
- C8H15ClN2O3
- Molecular weight
- 222.67
Names & synonyms
Alanine, N-(N-chloro-2-methylalanyl)-2-methyl- (9CI)
Database identifiers
- CAS
104716-41-8
Properties
Computed structural propertiesFilling in
- XLogP
- -2.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Density
- 1.227 · 1.227±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.513 · 3.513±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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