(2R)-1-methylpyrrolidine-2-carboxylic acid
Basic information
- CAS
58123-62-9- Standard SMILES
CN1CCC[C@@H]1C(=O)O- InChIKey
CWLQUGTUXBXTLF-RXMQYKEDSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- (2R)-1-methylpyrrolidine-2-carboxylic acid
- IUPAC
- (2R)-1-methylpyrrolidine-2-carboxylic acid
- English name
- 1-Methyl-D-Proline
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
(2R)-1-methylpyrrolidine-2-carboxylic acidRefChem:396866817-749-158123-62-91-methyl-D-Proline(R)-1-methylpyrrolidine-2-carboxylic acidN-methyl-D-prolineD-Proline, 1-methyl-MFCD15147029METHYL-D-PROLINESCHEMBL163401DTXSID80357529
Show more names
CS-W001861DS-9020(R)-1-methylpyrrolidine-2-carboxylicacidEN300-312573Z1205493803N-Me-D-Pro-OHH-N-Me-D-Pro-OHSCHEMBL556864
Database identifiers
- CAS
58123-62-9- PubChem CID
- 854034
- DTXSID
DTXSID80357529- EC Number
- 817-749-1
- Nikkaji
- J674.686A
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 227.1 · 227.1±33.0 °C(Predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.37 · 2.37±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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