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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
Names and Synonyms:
Hydrazine, [4-(Phenylmethoxy)Phenyl]-, Hydrochloride (1:1)
Hydrazine, [4-(phenylmethoxy)phenyl]-, hydrochloride (1:1)
Hydrazine, [4-(phenylmethoxy)phenyl]-, monohydrochloride
Hydrazine, [p-(benzyloxy)phenyl]-, hydrochloride
(p-Benzyloxyphenyl)hydrazine hydrochloride
(4-Phenylmethoxyphenyl)hydrazine hydrochloride
(4-Benzyloxyphenyl)hydrazine hydrochloride
(4-Benzyloxyphenyl)hydrazine hydrochloride salt
Identifiers:
SMILES:
Cl.NNc1ccc(OCc2ccccc2)cc1
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
Key Properties
Melting Point
185-189 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.73 g/mol | CAS Common Chemistry |
| 250.72899999999998 g/mol | RDKit | |
| 250.08729078 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 72.27410000000003 | RDKit |
