Basic information
- CAS
1808512-07-3- Standard SMILES
C[C@H]1C[C@@H](C(=O)O)CCN1C- InChIKey
KNRGPNUMYGQKOA-BQBZGAKWSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-1,2-Dimethylpiperidine-4-carboxylic acid
- IUPAC
- (2S,4S)-1,2-dimethylpiperidine-4-carboxylic acid
- English name
- (2R,4R)-1,2-dimethylpiperidine-4-carboxylic acid
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
(2S,4S)-1,2-Dimethylpiperidine-4-carboxylic acid1808512-07-3starbld0001518AKOS026744201EN300-189197rel-(2S,4S)-1,2-Dimethylpiperidine-4-carboxylic acid(2R,4R)-1,2-dimethylpiperidine-4-carboxylic acid4-Piperidinecarboxylic acid, 1,2-dimethyl-, (2S,4S)-
Database identifiers
- CAS
1808512-07-3
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 253.068 · 253.068±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.166 · 3.166±0.40(predicted)
Chemistry & industry
Suppliers2 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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