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Molecule
Pentanoic Acid, Hydrazide
CAS: 38291-82-6 · C5H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 38291-82-6
- Molecular Formula
- C5H12N2O
- Molecular Mass
- 116.16 g/mol
Identifiers
CAS Registry Number
38291-82-6
SMILES
CCCCC(O)=NN
InChI Key
PJBQYCIDGYKEMN-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O/c1-2-3-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
Names and Synonyms
- Pentanoic Acid, Hydrazide Synonym
- Pentanoic acid, hydrazide Synonym
- Valeric acid hydrazide Synonym
- Valerylhydrazine Synonym
- Pentanoic hydrazide Synonym
- Pentanoyl hydrazide Synonym
- Valeric hydrazide Synonym
- NSC 216079 Synonym
- NSC 523267 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.16 g/mol | CAS Common Chemistry |
| 116.164 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O/c1-2-3-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=PJBQYCIDGYKEMN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentanoic acid, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 1.0068 | RDKit |
| Molar Refractivity | 33.77619999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 116.094963004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 116.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12N2O.
