6,7-Diphenyl-2,3-dihydro-1H-pyrrolizin-5-yl-acetaldehyde
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Basic information
- CAS
105378-65-2- Standard SMILES
O=CCc1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2- InChIKey
CMOCEULWRYSFTQ-UHFFFAOYSA-N- Molecular formula
- C21H19NO
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.14666423
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6,7-Diphenyl-2,3-dihydro-1H-pyrrolizin-5-yl-acetaldehyde
- IUPAC
- 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)acetaldehyde
- English name
- 6,7-diphenyl-2,3-dihydro-1H-pyrrolizin-5-yl-acetaldehyde
- Molecular formula
- C21H19NO
- Molecular weight
- 301.38
Names & synonyms
Dadhp-5-acetaldehyde105378-65-26,7-Diphenyl-2,3-dihydro-1H-pyrrolizin-5-yl-acetaldehydeDTXSID00147101RefChem:103870DTXCID50695922-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)acetaldehyde2,3-Dihydro-6,7-diphenyl-1H-pyrrolizine-5-acetaldehyde(6,7-Diphenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acetaldehyde1H-Pyrrolizine-5-acetaldehyde, 2,3-dihydro-6,7-diphenyl-
Database identifiers
- CAS
105378-65-2- PubChem CID
- 128358
- DTXSID
DTXSID00147101
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 479.4 · 479.4±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- -2.88 · -2.88±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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