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2-(Dimethylamino)-2-(4-Methylbenzyl)-1-[(4-Morpholin-4-Yl)Phenyl]-1-Butanone
CAS: 119344-86-4 | C24H32N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
119344-86-4
Molecular Formula:
C24H32N2O2
Molecular Mass:
380.53 g/mol
Names and Synonyms:
2-(Dimethylamino)-2-(4-Methylbenzyl)-1-[(4-Morpholin-4-Yl)Phenyl]-1-Butanone
1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-
2-(Dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-1-butanone
Irgacure 379
2-(4-Methylbenzyl)-2-(dimethylamino)-1-(4-morpholinophenyl)butan-1-one
Irgacure 379EG
2-(Dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholinophenyl)-1-butanone
2-(Dimethylamino)-2-(4-methylbenzyl)-1-[(4-morpholin-4-yl)phenyl]-1-butanone
I 379EG
Irgacure OXE 379
2-(4-Methylbenzyl)-2-(dimethylamino)-1-(4-morpholinophenyl)-1-butanone
IC 379
2-Dimethylamino-2-(4-methylbenzyl)-1-(4-morpholin-4-ylphenyl)butane-1-one
Photoinitiator 379
Omnirad 379EG
Irgacure 397
Identifiers:
SMILES:
CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.53 g/mol | CAS Common Chemistry |
| 380.53200000000015 g/mol | RDKit | |
| 380.246378264 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 |
| LogP | 3.9674200000000033 | RDKit |
| Molar Refractivity | 115.39650000000006 | RDKit |
