Basic information
- CAS
944133-94-2- Standard SMILES
COC(=O)c1cnc(N2CCCC2)cn1- InChIKey
NFPDGKFKCUNPHZ-UHFFFAOYSA-N- Molecular formula
- C10H13N3O2
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.10077667
Names & identifiers
- Preferred name
- Methyl 5-(pyrrolidin-1-yl)pyrazine-2-carboxylate
- IUPAC
- methyl 5-pyrrolidin-1-ylpyrazine-2-carboxylate
- English name
- Methyl 5-(1-pyrrolidinyl)-2-pyrazinecarboxylate
- Molecular formula
- C10H13N3O2
- Molecular weight
- 207.23
Names & synonyms
944133-94-2Methyl 5-(pyrrolidin-1-yl)pyrazine-2-carboxylateSCHEMBL4309269DTXSID20672208NFPDGKFKCUNPHZ-UHFFFAOYSA-NDA-00437methyl 5-pyrrolidin-1-ylpyrazine-2-carboxylateMethyl5-(pyrrolidin-1-yl)pyrazine-2-carboxylateMethyl 5-(1-pyrrolidinyl)-2-pyrazinecarboxylate2-Pyrazinecarboxylic acid, 5-(1-pyrrolidinyl)-, methyl ester
Database identifiers
- CAS
944133-94-2- PubChem CID
- 45790076
- DTXSID
DTXSID20672208
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 372.1 · 372.1±42.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.56 · 0.56±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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