Basic information
- CAS
1160936-01-5- Standard SMILES
CC(C)C(=O)N[C@@H](CO)C(=O)O- InChIKey
QSEFPFCSTSMYJB-YFKPBYRVSA-N- Molecular formula
- C7H13NO4
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.0844579
Names & identifiers
- Preferred name
- (2S)-3-hydroxy-2-(2-methylpropanamido)propanoic acid
- IUPAC
- (2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoic acid
- English name
- (2S)-3-hydroxy-2-(2-methylpropanamido)propanoic acid
- Molecular formula
- C7H13NO4
- Molecular weight
- 175.18
Names & synonyms
(2S)-3-hydroxy-2-(2-methylpropanamido)propanoic acid1160936-01-5RefChem:398581992-676-7(2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoic acidCHEMBL5285361SCHEMBL14163011BDBM50405407CS-0239417EN300-212266(2S)-3-hydroxy-2-(2-methylpropanamido)propanoicacidL-Serine, N-(2-methyl-1-oxopropyl)-
Database identifiers
- CAS
1160936-01-5- PubChem CID
- 29908573
- ChEMBL
CHEMBL5285361- EC Number
- 992-676-7
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 439.8 · 439.8±40.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 3.29 · 3.29±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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