Basic information
- CAS
3956-49-8- Standard SMILES
CC1=NNC(C)(C)C1.Cl- InChIKey
FQLGJNSFYKZMNO-UHFFFAOYSA-N- Molecular formula
- C6H13ClN2
- Average molar mass
- 148.63 g/mol
- Monoisotopic mass
- 148.0767261
Names & identifiers
- Preferred name
- 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole--hydrogen chloride (1/1)
- IUPAC
- 3,5,5-trimethyl-1,4-dihydropyrazole;hydrochloride
Names & synonyms
3956-49-8NSC-277106R595L4JTHDTXSID804910533,5,5-Trimethyl-4,5-dihydro-1H-pyrazole--hydrogen chloride (1/1)NSC164146NSC-1641463,5,5-Trimethyl-2-pyrazoline hydrochloride2-Pyrazoline, 3,5,5-trimethyl-, monohydrochlorid1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-, monohydrochloride1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-, hydrochloride (1:1)
Database identifiers
- CAS
3956-49-8- PubChem CID
- 12334530
- DTXSID
DTXSID80491053- UNII
- 6R595L4JTH
Properties
Computed structural properties
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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