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Molecule
N,N′-(Methylenedi-4,1-Phenylene)Bis[2,2-Dimethylhydrazinecarboxamide]
CAS: 85095-61-0 · C19H26N6O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85095-61-0
- Molecular Formula
- C19H26N6O2
- Molecular Mass
- 370.46 g/mol
Identifiers
CAS Registry Number
85095-61-0
SMILES
CN(C)N=C(O)Nc1ccc(Cc2ccc(NC(O)=NN(C)C)cc2)cc1
InChI Key
AQABZFKTYXFIJF-UHFFFAOYSA-N
InChI
InChI=1S/C19H26N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h5-12H,13H2,1-4H3,(H2,20,22,26)(H2,21,23,27)
Names and Synonyms
- N,N′-(Methylenedi-4,1-Phenylene)Bis[2,2-Dimethylhydrazinecarboxamide] Systematic Name
- Hydrazinecarboxamide, N,N′-(methylenedi-4,1-phenylene)bis[2,2-dimethyl- Synonym
- N,N′-(Methylenedi-4,1-phenylene)bis[2,2-dimethylhydrazinecarboxamide] Synonym
- 1,1,1′,1′-Tetramethyl-4,4′-(methylene-di-p-phenylene)disemicarbazide Synonym
- HN 150 Synonym
- Z-UDT Synonym
- 4,4′-(Methylene-di-p-phenylene)bis(N,N-dimethylsemicarbazide) Synonym
- Chisorb 1500 Synonym
- UDT Synonym
- Anti-yellowing agent UDT Synonym
- 1-(Dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 370.46 g/mol | CAS Common Chemistry |
| 370.45700000000005 g/mol | RDKit | |
| 370.457 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NN(C)C)NN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H26N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h5-12H,13H2,1-4H3,(H2,20,22,26)(H2,21,23,27) | CAS Common Chemistry |
| InChI Key | InChIKey=AQABZFKTYXFIJF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 161-162 °C @ Solvent: Isopropanol | CAS Common Chemistry |
| Name | N,N′-(Methylenedi-4,1-phenylene)bis[2,2-dimethylhydrazinecarboxamide] | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 95.72 Ų | RDKit |
| 95.26 Ų | chempirical lib | |
| LogP | 2.8824000000000005 | RDKit |
| 2.8824 | RDKit | |
| Molar Refractivity | 110.43700000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2632 | RDKit |
| 0.26 | chempirical lib | |
| Exact Mass | 370.21172407200004 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 |
|---|
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 = 370.46 g/mol. Edit any field — others recompute live.
