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Molecule
Hydrazine, [4-(Phenylmethoxy)Phenyl]-, Hydrochloride (1:1)
CAS: 52068-30-1 · C13H15ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52068-30-1
- Molecular Formula
- C13H15ClN2O
- Molecular Mass
- 250.73 g/mol
Identifiers
CAS Registry Number
52068-30-1
SMILES
Cl.NNc1ccc(OCc2ccccc2)cc1
InChI Key
OVNUPJXMCMTQCN-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2O.ClH/c14-15-12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11;/h1-9,15H,10,14H2;1H
Names and Synonyms
- Hydrazine, [4-(Phenylmethoxy)Phenyl]-, Hydrochloride (1:1) Systematic Name
- Hydrazine, [4-(phenylmethoxy)phenyl]-, hydrochloride (1:1) Synonym
- Hydrazine, [4-(phenylmethoxy)phenyl]-, monohydrochloride Synonym
- Hydrazine, [p-(benzyloxy)phenyl]-, hydrochloride Synonym
- (p-Benzyloxyphenyl)hydrazine hydrochloride Synonym
- (4-Phenylmethoxyphenyl)hydrazine hydrochloride Synonym
- (4-Benzyloxyphenyl)hydrazine hydrochloride Synonym
- (4-Benzyloxyphenyl)hydrazine hydrochloride salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.73 g/mol | CAS Common Chemistry |
| 250.72899999999998 g/mol | RDKit | |
| 250.729 g/mol | RDKit | |
| 250.726 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O(C1=CC=C(C=C1)NN)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H14N2O.ClH/c14-15-12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11;/h1-9,15H,10,14H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=OVNUPJXMCMTQCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185-189 °C | CAS Common Chemistry |
| Name | Hydrazine, [4-(phenylmethoxy)phenyl]-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 47.28 Ų | RDKit |
| LogP | 2.9730000000000008 | RDKit |
| 2.973 | RDKit | |
| Molar Refractivity | 72.27410000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 250.08729078 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 250.73 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H15ClN2O.
