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Molecule
2-(Dimethylamino)-2-(4-Methylbenzyl)-1-[(4-Morpholin-4-Yl)Phenyl]-1-Butanone
CAS: 119344-86-4 · C24H32N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 119344-86-4
- Molecular Formula
- C24H32N2O2
- Molecular Mass
- 380.53 g/mol
Identifiers
CAS Registry Number
119344-86-4
SMILES
CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C
InChI Key
PUBNJSZGANKUGX-UHFFFAOYSA-N
InChI
InChI=1S/C24H32N2O2/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26/h6-13H,5,14-18H2,1-4H3
Names and Synonyms
- 2-(Dimethylamino)-2-(4-Methylbenzyl)-1-[(4-Morpholin-4-Yl)Phenyl]-1-Butanone Systematic Name
- Irgacure 379EG Synonym
- 1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]- Synonym
- 2-(Dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-1-butanone Synonym
- Irgacure 379 Synonym
- 2-(4-Methylbenzyl)-2-(dimethylamino)-1-(4-morpholinophenyl)butan-1-one Synonym
- 2-(Dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholinophenyl)-1-butanone Synonym
- 2-(Dimethylamino)-2-(4-methylbenzyl)-1-[(4-morpholin-4-yl)phenyl]-1-butanone Synonym
- I 379EG Synonym
- Irgacure OXE 379 Synonym
- 2-(4-Methylbenzyl)-2-(dimethylamino)-1-(4-morpholinophenyl)-1-butanone Synonym
- IC 379 Synonym
- 2-Dimethylamino-2-(4-methylbenzyl)-1-(4-morpholin-4-ylphenyl)butane-1-one Synonym
- Photoinitiator 379 Synonym
- Omnirad 379EG Synonym
- Irgacure 397 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.53 g/mol | CAS Common Chemistry |
| 380.53200000000015 g/mol | RDKit | |
| 380.532 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(C=C1)N2CCOCC2)C(N(C)C)(CC3=CC=C(C=C3)C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C24H32N2O2/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26/h6-13H,5,14-18H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PUBNJSZGANKUGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Dimethylamino)-2-(4-methylbenzyl)-1-[(4-morpholin-4-yl)phenyl]-1-butanone | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.78 Ų | RDKit |
| 32.32 Ų | chempirical lib | |
| LogP | 3.9674200000000033 | RDKit |
| 3.9674 | RDKit | |
| Molar Refractivity | 115.39650000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4583 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 380.246378264 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 380.53 g/mol. Edit any field — others recompute live.
