Methyl 1-methylpyrrolidine-2-carboxylate
Basic information
- CAS
933-94-8- Standard SMILES
COC(=O)C1CCCN1C- InChIKey
WBXUFOSSZLFNPQ-LURJTMIESA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- Methyl 1-methylpyrrolidine-2-carboxylate
- IUPAC
- methyl 1-methylpyrrolidine-2-carboxylate
- English name
- Methyl 1-methylpyrrolidine-2-carboxylate
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
methyl 1-methylpyrrolidine-2-carboxylate933-94-8RefChem:812764980-129-5L-Proline, 1-methyl-, methyl estermethyl methylprolinateProline, 1-methyl-, methyl ester, L-N-methyl-D-proline methyl esterDL-Proline, 1-methyl-, methyl esterSCHEMBL2651732WBXUFOSSZLFNPQ-UHFFFAOYSA-NAAA93394
Show more names
Proline, 1-methyl-, methyl ester
AKOS011302602methyl1-methylpyrrolidine-2-carboxylateDB-198399CS-0239487EN300-2138041-methyl-pyrrolidine-2-carboxylic acid methyl esterZ905213162
Database identifiers
- CAS
933-94-8- PubChem CID
- 529062
- EC Number
- 980-129-5
- Nikkaji
- J2.246.972J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 72 · 72-74 °C(Press: 18 Torr)
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.48 · 8.48±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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