Basic information
- CAS
77449-97-9- Standard SMILES
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O- InChIKey
BAPRUDZDYCKSOQ-NTSWFWBYSA-N- Molecular formula
- C7H11NO4
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.06880783
Names & identifiers
- Preferred name
- (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
- IUPAC
- (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
- English name
- D-Proline, 1-acetyl-4-hydroxy-, trans- (9CI)
- Molecular formula
- C7H11NO4
- Molecular weight
- 173.16654
Names & synonyms
(2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid77449-97-9RefChem:397618882-039-0106564-72-1rac-(2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acidD-Proline, 1-acetyl-4-hydroxy-, (4S)-rel- (9CI)rel-(2R,4S)-1-Acetyl-4-hydroxypyrrolidine-2-carboxylic acidSCHEMBL3780150EBC-47160MFCD20760260AKOS026744790
Show more names
D-Proline, 1-acetyl-4-hydroxy-, trans- (9CI)
SY160918EN300-158274G54709EN300-28271147Z1262515248rel-(2R,4S)-1-Acetyl-4-hydroxypyrrolidine-2-carboxylicacid
Database identifiers
- CAS
77449-97-9- PubChem CID
- 703189
- EC Number
- 882-039-0
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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