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Molecule
Uv 3638
CAS: 18600-59-4 · C22H12N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18600-59-4
- Molecular Formula
- C22H12N2O4
- Molecular Mass
- 368.35 g/mol
Identifiers
CAS Registry Number
18600-59-4
SMILES
O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)cc2)nc2ccccc12
InChI Key
BBITXNWQALLODC-UHFFFAOYSA-N
InChI
InChI=1S/C22H12N2O4/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20/h1-12H
Names and Synonyms
- Uv 3638 Common Name
- 4H-3,1-Benzoxazin-4-one, 2,2′-(1,4-phenylene)bis- Synonym
- 4H-3,1-Benzoxazin-4-one, 2,2′-p-phenylenebis- Synonym
- 2,2′-(1,4-Phenylene)bis[4H-3,1-benzoxazin-4-one] Synonym
- Cyasorb UV 3638 Synonym
- 2,2′-p-Phenylenebis[4H-3,1-benzoxazin-4-one] Synonym
- 2,2′-(1,4-Phenylene)bis[3,1-benzoxazin-4-one] Synonym
- 2,2′-p-Phenylenebis(3,1-benzoxazin-4-one) Synonym
- CEi-P Synonym
- 2,2′-(1,4-Phenylene)bis(4H-3,1-benzoxazin-4-one) Synonym
- Pionin ZA 101 Synonym
- CEi-P-A Synonym
- UV 0901 Synonym
- UV-BO Synonym
- UV 3638 Synonym
- Eversorb 58 Synonym
- 2,2′-(1,4-Phenylene)bis(4H-benzo[d][1,3]oxazin-4-one) Synonym
- Cyasorb 3638 Synonym
- 2-[4-(4-Oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.35 g/mol | CAS Common Chemistry |
| 368.348 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=NC2=CC=CC=C12)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4 | CAS Common Chemistry |
| InChI | InChI=1S/C22H12N2O4/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20/h1-12H | CAS Common Chemistry |
| InChI Key | InChIKey=BBITXNWQALLODC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 315-317 °C | CAS Common Chemistry |
| Name | UV 3638 | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 86.2 Ų | RDKit |
| LogP | 4.023400000000002 | RDKit |
| 4.0234 | RDKit | |
| Molar Refractivity | 104.988 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 368.079706864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 368.35 g/mol. Edit any field — others recompute live.
