Basic information
- CAS
38013-78-4- Standard SMILES
CN(C)CCOc1ccc2c(c1)Cc1cc(OCCN(C)C)ccc1O2- InChIKey
BSOCJVXJLPDOKB-UHFFFAOYSA-N- Molecular formula
- C21H28N2O3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.20999276
Names & identifiers
- Preferred name
- Ethylamine, 2,2'-(9H-xanthene-2,7-diylbis(oxy))bis(N,N-dimethyl-
- IUPAC
- 2-[[7-[2-(dimethylamino)ethoxy]-9H-xanthen-2-yl]oxy]-N,N-dimethylethanamine
- English name
- 2,2'-[9H-Xanthene-2,7-diylbis(oxy)]bis(N,N-dimethylethanamine)
- Molecular formula
- C21H28N2O3
- Molecular weight
- 356.46
Names & synonyms
38013-78-4ETHYLAMINE, 2,2'-(9H-XANTHENE-2,7-DIYLBIS(OXY))BIS(N,N-DIMETHYL-BRN 14002032,2'-(9H-Xanthene-2,7-diylbis(oxy))bis(N,N-dimethylethylamine)DTXSID001914275-17-05-00398 (Beilstein Handbook Reference)RefChem:345075DTXCID101139182-[[7-[2-(dimethylamino)ethoxy]-9H-xanthen-2-yl]oxy]-N,N-dimethylethanamineSCHEMBL11833637Ethanamine, 2,2'-[9H-xanthene-2,7-diylbis(oxy)]bis[N,N-dimethyl-2,2'-[9H-Xanthene-2,7-diylbis(oxy)]bis(N,N-dimethylethan-1-amine)
Show more names
2,2'-[9H-Xanthene-2,7-diylbis(oxy)]bis(N,N-dimethylethanamine)Ethanamine, 2,2'-[9H-xanthene-2,7-diylbis(oxy)]bis[N,N-dimethyl- (9CI)
2-[[7-(2-dimethylaminoethyloxy)-9H-xanthen-2-yl]oxy]-N,N-dimethyl-ethanamine
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 85 · 85-87 °C(Solv: hexane (110-54-3))
- Boiling point
- 492 · 492.0±45.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- pka
- 9.05 · 9.05±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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