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Phenylmethyl Hydrazinecarboxylate
CAS: 5331-43-1 | C8H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5331-43-1
Molecular Formula:
C8H10N2O2
Molecular Mass:
166.18 g/mol
Names and Synonyms:
Phenylmethyl Hydrazinecarboxylate
Hydrazinecarboxylic acid, phenylmethyl ester
Carbazic acid, benzyl ester
Phenylmethyl hydrazinecarboxylate
Benzyloxycarbonyl hydrazide
Benzyl carbazate
[(Benzyloxy)carbonyl]hydrazine
Carbobenzoxyhydrazide
Benzyl hydrazinocarboxylate
Carbobenzyloxyhydrazine
NSC 2287
Benzyl hydrazinecarboxylate
Hydrazincarboxylic acid benzyl ester
Hydrazinecarboxylic acid benzyl ester
N-(Benzyloxycarbonyl)hydrazine
Identifiers:
SMILES:
NN=C(O)OCc1ccccc1
InChI:
InChI=1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
Key Properties
Melting Point
69-70 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 | 166.18 g/mol | CAS Common Chemistry |
| 166.07422756 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=RXUBZLMIGSAPEJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69-70 °C | CAS Common Chemistry |
| Name | Phenylmethyl hydrazinecarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 0.9908999999999999 | RDKit |
| Molar Refractivity | 45.48220000000001 | RDKit |
