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Molecule
L-Tyrosine Hydrazide
CAS: 7662-51-3 · C9H13N3O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7662-51-3
- Molecular Formula
- C9H13N3O2
- Molecular Mass
- 195.22 g/mol
Identifiers
CAS Registry Number
7662-51-3
SMILES
NN=C(O)[C@@H](N)Cc1ccc(O)cc1
InChI Key
MWIXENPCUPDSOS-QMMMGPOBSA-N
InChI
InChI=1S/C9H13N3O2/c10-8(9(14)12-11)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10-11H2,(H,12,14)/t8-/m0/s1
Names and Synonyms
- L-Tyrosine Hydrazide Synonym
- L-Tyrosine, hydrazide Synonym
- Tyrosine, hydrazide, L- Synonym
- L-Tyrosine hydrazide Synonym
- Tyrosine hydrazide Synonym
- NSC 337746 Synonym
- L-(-)-Tyrosine hydrazide Synonym
- L-(+)-Tyrosine hydrazide Synonym
- (2S)-2-Amino-3-(4-hydroxyphenyl)propanehydrazide Synonym
- (S)-2-Amino-3-(4-hydroxyphenyl)propanehydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.22 g/mol | CAS Common Chemistry |
| 195.222 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C(N)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N3O2/c10-8(9(14)12-11)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10-11H2,(H,12,14)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MWIXENPCUPDSOS-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 194 °C | CAS Common Chemistry |
| Name | L-Tyrosine hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 104.86 Ų | RDKit |
| LogP | 0.09219999999999995 | RDKit |
| 0.0922 | RDKit | |
| Molar Refractivity | 54.03740000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 195.100776656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
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.
External Resources
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MW = 195.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N3O2.
