Back to Search
Carbazochrome
CAS: 69-81-8 | C10H12N4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69-81-8
Molecular Formula:
C10H12N4O3
Molecular Mass:
236.23 g/mol
Names and Synonyms:
Carbazochrome
Hydrazinecarboxamide, 2-(1,2,3,6-tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene)-
Adrenochrome semicarbazone
5,6-Indolinedione, 3-hydroxy-1-methyl-, 5-semicarbazone
2-(1,2,3,6-Tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene)hydrazinecarboxamide
Adrenoxyl
Carbazochrome
Adrenostazin
Adrokson
Adroxon
Sangostazin
3-Hydroxy-1-methyl-5,6-indolindione 5-semicarbazone
Adchnon
Cromadrenal
Adedolon
Adrezon
Sangostasin
Carbazochrom
Cartabes
Adrenochrome monosemicarbazone
Cromosil
NSC 73742
2-(3-Hydroxy-1-methyl-6-oxo-2,3-dihydro-1H-indol-5(6H)-ylidene)hydrazinecarboxamide
Identifiers:
SMILES:
CN1CC(O)C2=CC(=NNC(=N)O)C(=O)C=C21
InChI:
InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)
Key Properties
Melting Point
212-213 °C (decomp)
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 | 236.23 g/mol | CAS Common Chemistry |
| 236.231 g/mol | RDKit | |
| 236.090940244 g/mol | RDKit | |
| Canonical SMILES | O=C(N)NN=C1C=C2C(=CC1=O)N(C)CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17) | CAS Common Chemistry |
| InChI Key | InChIKey=XSXCZNVKFKNLPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212-213 °C (decomp) | CAS Common Chemistry |
| Name | Carbazochrome | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 109.01000000000002 Ų | RDKit |
| LogP | -0.8759300000000003 | RDKit |
| Molar Refractivity | 60.736000000000004 | RDKit |
