Basic information
- CAS
88218-12-6- Standard SMILES
O=C[C@@H]1CCCN1- InChIKey
JIDDDPVQQUHACU-YFKPBYRVSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Names & identifiers
- Preferred name
- Prolinyl
- IUPAC
- (2S)-pyrrolidine-2-carbaldehyde
- English name
- (S)-PYRROLIDINE-2-CARBALDEHYDE
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
88218-12-6prolinylDTXSID50332207RefChem:373821DTXCID50283301(2S)-pyrrolidine-2-carbaldehyde(S)-PYRROLIDINE-2-CARBALDEHYDEMFCD00801415L-Proline-2-chlorotrityl resinSCHEMBL475384SCHEMBL475385SCHEMBL5416696
Show more names
(2S)-2-Pyrrolidinecarboxaldehyde2-Pyrrolidinecarboxaldehyde,(2S)-
AKOS006282803EN300-6414303F492684Q27464542H-L-Pro-2-chlorotrityl resin (100-200 mesh, > 0.5 mmol/g)H-L-Pro-2-chlorotrityl resin (200-400 mesh, 0.4-1.2 mmol/g)
Database identifiers
- CAS
88218-12-6- PubChem CID
- 445997
- DTXSID
DTXSID50332207- Nikkaji
- J1.643.040D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.5
Physicochemical properties
- Boiling point
- 157.8 · 157.8±33.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 8.35 · 8.35±0.10(Predicted)
Chemistry & industry
Suppliers3 total
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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