Basic information
- CAS
53067-74-6- Standard SMILES
CCC1=NCCC1(c1ccccc1)c1ccccc1- InChIKey
ZSZDLICNXAEVQW-UHFFFAOYSA-N- Molecular formula
- C18H19N
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.15174961
Names & identifiers
- Preferred name
- 1-Pyrroline, 3,3-diphenyl-2-ethyl-
- IUPAC
- 5-ethyl-4,4-diphenyl-2,3-dihydropyrrole
- English name
- 5-ethyl-3,4-dihydro-4,4-diphenyl-2H-pyrrole
- Molecular formula
- C18H19N
- Molecular weight
- 249.35
Names & synonyms
3,3-Diphenyl-2-ethyl-1-pyrroline1-Pyrroline, 3,3-diphenyl-2-ethyl-5-Ethyl-3,4-dihydro-4,4-diphenyl-2H-pyrroleBRN 0016620EINECS 258-342-3DTXSID302011444-20-00-04115 (Beilstein Handbook Reference)RefChem:235287DTXCID30123635258-342-353067-74-65-ethyl-4,4-diphenyl-3,4-dihydro-2H-pyrrole
Show more names
KS6TSQ5AQYSCHEMBL7350458ZSZDLICNXAEVQW-UHFFFAOYSA-NAKOS0243230131-Pyrroline, 2-ethyl-3,3-diphenyl-DB-317658NS000326452H-Pyrrole, 5-ethyl-3,4-dihydro-4,4-diphenyl-
Database identifiers
- CAS
53067-74-6- PubChem CID
- 104403
- DTXSID
DTXSID30201144- UNII
- KS6TSQ5AQY
- EC Number
- 258-342-3
- Nikkaji
- J295.876G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 382.46 °C · 382.46°C (rough estimate)
- Density
- 0.8706 · 0.8706 (rough estimate)
- refractive index
- 1.532 · 1.5320 (estimate)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H410-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H335-H302-H410-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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