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Centralite Ii
CAS: 611-92-7 | C15H16N2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
611-92-7
Molecular Formula:
C15H16N2O
Molecular Mass:
240.31 g/mol
Names and Synonyms:
Centralite Ii
Urea, N,N′-dimethyl-N,N′-diphenyl-
Carbanilide, N,N′-dimethyl-
Carbanilide, α,β-dimethyl-
N,N′-Dimethyl-N,N′-diphenylurea
Centralite II
N,N′-Dimethylcarbanilide
Methyl centralite
1,3-Dimethyl-1,3-diphenylurea
Dimethylcarbanilide
NSC 59781
Identifiers:
SMILES:
CN(C(=O)N(C)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
Key Properties
Boiling Point
350 °C
CAS Common Chemistry
Melting Point
122 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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 |
|---|
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 | 240.31 g/mol | CAS Common Chemistry |
| 240.306 g/mol | RDKit | |
| 240.126263132 g/mol | RDKit | |
| Boiling Point | 350 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C=CC=CC1)C)N(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ADCBKYIHQQCFHE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 122 °C | CAS Common Chemistry |
| Name | Centralite II | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.550000000000004 Ų | RDKit |
| LogP | 3.3792000000000018 | RDKit |
| Molar Refractivity | 75.08600000000004 | RDKit |
