Basic information
- CAS
1185302-97-9- Standard SMILES
O=C(O)C1CN(c2cncnc2)CCO1- InChIKey
OQWAZEZVAGPQHZ-UHFFFAOYSA-N- Molecular formula
- C9H11N3O3
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.08004122
Names & identifiers
- Preferred name
- 4-(Pyrimidin-5-yl)morpholine-2-carboxylic acid
- IUPAC
- 4-pyrimidin-5-ylmorpholine-2-carboxylic acid
- English name
- 4-(PyriMidin-5-yl)Morpholine-2-carboxylic acid
- Molecular formula
- C9H11N3O3
- Molecular weight
- 209.2
Names & synonyms
4-(Pyrimidin-5-yl)morpholine-2-carboxylic acid1185302-97-94-pyrimidin-5-ylmorpholine-2-carboxylic acidDTXSID001251965MFCD18381521AKOS015921503CCG-210175CS-03389434-(5-Pyrimidinyl)-2-morpholinecarboxylic acid4-(Pyrimidin-5-yl)morpholine-2-carboxylicacid2-Morpholinecarboxylic acid, 4-(5-pyrimidinyl)-
Database identifiers
- CAS
1185302-97-9- PubChem CID
- 46737151
- DTXSID
DTXSID001251965
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 453.3 · 453.3±45.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- pka
- 3.13 · 3.13±0.20(Predicted)
Chemistry & industry
Suppliers2 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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