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Indole-3-Acetic Acid, Hydrazide
CAS: 5448-47-5 | C10H11N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5448-47-5
Molecular Formula:
C10H11N3O
Molecular Mass:
189.22 g/mol
Names and Synonyms:
Indole-3-Acetic Acid, Hydrazide
1H-Indole-3-acetic acid, hydrazide
Indole-3-acetic acid, hydrazide
3-Indolylacetic acid hydrazide
NSC 17812
NSC 63799
Indole-3-acetylhydrazine
Indole-3-acetic hydrazide
(1H-Indol-3-yl)acetic acid hydrazide
Indole-3-acetohydrazide
2-(1H-Indol-3-yl)acetohydrazide
Identifiers:
SMILES:
NN=C(O)Cc1c[nH]c2ccccc12
InChI:
InChI=1S/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14)
Key Properties
Melting Point
143-144 °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 | 189.22 g/mol | CAS Common Chemistry |
| 189.21800000000002 g/mol | RDKit | |
| 189.090211972 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)CC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=GYHLCXMCGCVVCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 143-144 °C | CAS Common Chemistry |
| Name | Indole-3-acetic acid, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.4 Ų | RDKit |
| LogP | 1.5405999999999995 | RDKit |
| Molar Refractivity | 56.25390000000001 | RDKit |
