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Molecule
Hydrazine, [(4-Methoxyphenyl)Methyl]-, Hydrochloride (1:1)
CAS: 2011-48-5 · C8H13ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2011-48-5
- Molecular Formula
- C8H13ClN2O
- Molecular Mass
- 188.66 g/mol
Identifiers
CAS Registry Number
2011-48-5
SMILES
COc1ccc(CNN)cc1.Cl
InChI Key
NWIAETGHZKYGAD-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O.ClH/c1-11-8-4-2-7(3-5-8)6-10-9;/h2-5,10H,6,9H2,1H3;1H
Names and Synonyms
- Hydrazine, [(4-Methoxyphenyl)Methyl]-, Hydrochloride (1:1) Systematic Name
- Hydrazine, [(4-methoxyphenyl)methyl]-, hydrochloride (1:1) Synonym
- Hydrazine, [(4-methoxyphenyl)methyl]-, monohydrochloride Synonym
- Hydrazine, (p-methoxybenzyl)-, hydrochloride Synonym
- (4-Methoxybenzyl)hydrazine hydrochloride Synonym
- [(4-Methoxyphenyl)methyl]hydrazine hydrochloride Synonym
- 1-(4-Methoxybenzyl)hydrazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.66 g/mol | CAS Common Chemistry |
| 188.65800000000004 g/mol | RDKit | |
| 188.658 g/mol | RDKit | |
| 188.655 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O(C1=CC=C(C=C1)CNN)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2O.ClH/c1-11-8-4-2-7(3-5-8)6-10-9;/h2-5,10H,6,9H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NWIAETGHZKYGAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194-195 °C (decomp) | CAS Common Chemistry |
| Name | Hydrazine, [(4-methoxyphenyl)methyl]-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 47.28 Ų | RDKit |
| LogP | 1.0802999999999996 | RDKit |
| 1.0803 | RDKit | |
| Molar Refractivity | 51.26910000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 188.071640716 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 = 188.66 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H13ClN2O.
