Ethyl 2-(pyrrolidin-2-yl)-1,3-thiazole-4-carboxylate
Basic information
- CAS
1190775-48-4- Standard SMILES
CCOC(=O)c1csc(C2CCCN2)n1- InChIKey
UKHLURZCGAUBCQ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.07759887
Names & identifiers
- Preferred name
- Ethyl 2-(pyrrolidin-2-yl)-1,3-thiazole-4-carboxylate
- IUPAC
- ethyl 2-pyrrolidin-2-yl-1,3-thiazole-4-carboxylate
- English name
- Ethyl 2-(Pyrrolidin-2-yl)-1,3-thiazole-4-carboxylate
- Molecular formula
- C10H14N2O2S
- Molecular weight
- 226.3
Names & synonyms
ethyl 2-(pyrrolidin-2-yl)-1,3-thiazole-4-carboxylate1190775-48-4ethyl 2-pyrrolidin-2-yl-1,3-thiazole-4-carboxylateSCHEMBL8219214QXB77548AKOS015061307ethyl 2-pyrrolidin-2-ylthiazole-4-carboxylateEN300-176627ethyl2-(pyrrolidin-2-yl)-1,3-thiazole-4-carboxylate2-Pyrrolidin-2-yl-thiazole-4-carboxylic acid, ethyl ester4-Thiazolecarboxylic acid, 2-(2-pyrrolidinyl)-, ethyl ester
Database identifiers
- CAS
1190775-48-4- PubChem CID
- 485045
- EC Number
- 141-833-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 348.2 · 348.2±32.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 7.95 · 7.95±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
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%)
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Related reactions
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Compound notes
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