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N-(2,4-Dinitrophenyl)-L-Serine
CAS: 1655-64-7 | C9H9N3O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1655-64-7
Molecular Formula:
C9H9N3O7
Molecular Mass:
271.19 g/mol
Names and Synonyms:
N-(2,4-Dinitrophenyl)-L-Serine
L-Serine, N-(2,4-dinitrophenyl)-
Serine, N-(2,4-dinitrophenyl)-, L-
N-(2,4-Dinitrophenyl)-L-serine
2,4-Dinitrophenyl-L-serine
(2,4-Dinitrophenyl)serine
N-(2,4-Dinitrophenyl)serine
N-2,4-DNP-L-serine
DNP-L-serine
L-DNP-Serine
NSC 89606
(2S)-2-[(2,4-Dinitrophenyl)amino]-3-hydroxypropanoic acid
Identifiers:
SMILES:
O=C(O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI:
InChI=1S/C9H9N3O7/c13-4-7(9(14)15)10-6-2-1-5(11(16)17)3-8(6)12(18)19/h1-3,7,10,13H,4H2,(H,14,15)/t7-/m0/s1
Key Properties
Melting Point
196-197 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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 |
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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 | 271.19 g/mol | CAS Common Chemistry |
| 271.185 g/mol | RDKit | |
| 271.04404962800004 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC1=CC=C(C=C1N(=O)=O)N(=O)=O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C9H9N3O7/c13-4-7(9(14)15)10-6-2-1-5(11(16)17)3-8(6)12(18)19/h1-3,7,10,13H,4H2,(H,14,15)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SBQZBOCQYMVLTC-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | 196-197 °C | CAS Common Chemistry |
| Name | N-(2,4-Dinitrophenyl)-L-serine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 155.84000000000003 Ų | RDKit |
| LogP | 0.3603999999999998 | RDKit |
| Molar Refractivity | 61.883100000000006 | RDKit |
