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2,2′-(1,3-Phenylene)Bis(2-Oxazoline)
CAS: 34052-90-9 | C12H12N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
34052-90-9
Molecular Formula:
C12H12N2O2
Molecular Mass:
216.24 g/mol
Names and Synonyms:
2,2′-(1,3-Phenylene)Bis(2-Oxazoline)
Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-
2-Oxazoline, 2,2′-m-phenylenebis-
2,2′-(1,3-Phenylene)bis[4,5-dihydrooxazole]
1,3-Di(2-oxazolin-2-yl)benzene
1,3-Bis(2-oxazolin-2-yl)benzene
2,2′-m-Phenylenebis(2-oxazoline)
2,2′-(1,3-Phenylene)bis(2-oxazoline)
1,3-Phenylenebis-2-oxazoline
BOX 210
1,3-PBO
CP Resin A
CP Resin 1,3-PBO
1,3-Bis(4,5-dihydro-2-oxazolyl)benzene
1,3-Phenylenebisoxazoline
2,2′-(1,3-Phenylene)dioxazoline
Nexamite A 99
2-[3-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
Identifiers:
SMILES:
c1cc(C2=NCCO2)cc(C2=NCCO2)c1
InChI:
InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
Key Properties
Melting Point
138.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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 | 216.24 g/mol | CAS Common Chemistry |
| 216.23999999999995 g/mol | RDKit | |
| 216.089877624 g/mol | RDKit | |
| Canonical SMILES | N1=C(OCC1)C=2C=CC=C(C2)C3=NCCO3 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HMOZDINWBHMBSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 138.5 °C | CAS Common Chemistry |
| Name | 2,2′-(1,3-Phenylene)bis(2-oxazoline) | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.18000000000001 Ų | RDKit |
| LogP | 1.2402 | RDKit |
| Molar Refractivity | 61.154000000000025 | RDKit |
