2-aminoethanol; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one
Basic information
- CAS
7499-52-7- Standard SMILES
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-].NCCO- InChIKey
YPEOEUIHVIXHIH-UHFFFAOYSA-N- Molecular formula
- C12H15N5O6
- Average molar mass
- 325.28 g/mol
- Monoisotopic mass
- 325.10223322
Names & identifiers
- Preferred name
- 2-aminoethanol; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one
- IUPAC
- 2-aminoethanol;5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one
Names & synonyms
7499-52-7NSC4076662-aminoethanol; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-oneDTXSID90324767NSC-4076665-Methyl-4-nitro-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one--2-aminoethan-1-ol (1/1)
Database identifiers
- CAS
7499-52-7- PubChem CID
- 348393
- DTXSID
DTXSID90324767
Properties
Computed structural properties
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
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Related reactions
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Compound notes
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