- InChI
- InChI=1S/C7H7N5/c1-2-4-6(5-3-1)8-7-9-11-12-10-7/h1-5H,(H2,8,9,10,11,12)
- InChI Key
- JJGVUQXLNNGWPZ-UHFFFAOYSA-N
- Formula
- C7H7N5
- SMILES
- c1ccc(Nc2nnn[nH]2)cc1
- Molecular Weight1
- 161.16
- CAS
- 23579-46-6
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4060.00 ± 0.08 | kJ/mol | NIST |
| ΔfH°solid | 305.00 | kJ/mol | NIST |
| log10WS | -1.79 | Crippen Calculated Property | |
| logPoct/wat | 0.461 | Crippen Calculated Property | |
| McVol | 116.170 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylaminotetrazole.
Sources
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