Piperazine, 1-(2-(1,2-diphenylethylamino)ethyl)-4-(m-methylbenzyl)-
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Basic information
- CAS
23892-51-5- Standard SMILES
Cc1cccc(CN2CCN(CCNC(Cc3ccccc3)c3ccccc3)CC2)c1- InChIKey
JYMVEUDWEZLGIF-UHFFFAOYSA-N- Molecular formula
- C28H35N3
- Average molar mass
- 413.6 g/mol
- Monoisotopic mass
- 413.28309813
Names & identifiers
- Preferred name
- Piperazine, 1-(2-(1,2-diphenylethylamino)ethyl)-4-(m-methylbenzyl)-
- IUPAC
- N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2-diphenylethanamine
- English name
- 1-[2-[(1,2-Diphenylethyl)amino]ethyl]-4-(3-methylbenzyl)piperazine
- Molecular formula
- C28H35N3
- Molecular weight
- 413.6
Names & synonyms
23892-51-51-(2-(1,2-Diphenylethylamino)ethyl)-4-(m-methylbenzyl)piperazine1,2-Diphenyl-2'-(4-(m-methylbenzyl)piperazinyl)diethylamineDiethylamine, 1,2-diphenyl-2'-(4-(m-methylbenzyl)piperazinyl)-Piperazine, 1-(2-(1,2-diphenylethylamino)ethyl)-4-(m-methylbenzyl)-RefChem:371963N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2-diphenylethanamine1-[2-[(1,2-Diphenylethyl)amino]ethyl]-4-(3-methylbenzyl)piperazine1-(2-((1,2-Diphenylethyl)amino)ethyl)-4-(3-methylbenzyl)piperazineDTXSID90946685N-(2-{4-[(3-Methylphenyl)methyl]piperazin-1-yl}ethyl)-1,2-diphenylethan-1-amine1-Piperazineethanamine, N-(1,2-diphenylethyl)-4-[(3-methylphenyl)methyl]-
Database identifiers
- CAS
23892-51-5- PubChem CID
- 90998
- DTXSID
DTXSID90946685- Nikkaji
- J50.600A
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 539.4 · 539.4±45.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- pka
- 9.05 · 9.05±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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