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4-Tert-Butylbenzohydrazide
CAS: 43100-38-5 | C11H16N2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
43100-38-5
Molecular Formula:
C11H16N2O
Molecular Mass:
192.26 g/mol
Names and Synonyms:
4-Tert-Butylbenzohydrazide
Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
Benzoic acid, p-tert-butyl-, hydrazide
4-tert-Butylbenzoic acid hydrazide
p-tert-Butylbenzoic acid hydrazide
(p-tert-Butylbenzoyl)hydrazine
4-tert-Butylbenzoylhydrazine
4-tert-Butylbenzhydrazide
4-tert-Butylbenzoyl hydrazide
4-(1,1-Dimethylethyl)benzoic acid hydrazide
4-tert-Butylbenzohydrazide
4-tert-Butylbenzoic hydrazide
Identifiers:
SMILES:
CC(C)(C)c1ccc(C(=O)NN)cc1
InChI:
InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)
Key Properties
Melting Point
117-118 °C @ Solvent: Isopropanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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40
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 | 192.26 g/mol | CAS Common Chemistry |
| 192.262 g/mol | RDKit | |
| 192.126263132 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=C(C=C1)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=XYUFQWDLRLHUPB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 117-118 °C @ Solvent: Isopropanol | CAS Common Chemistry |
| Name | 4-tert-Butylbenzohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.120000000000005 Ų | RDKit |
| LogP | 1.5876000000000001 | RDKit |
| Molar Refractivity | 56.79560000000003 | RDKit |
