2-(Diethylamino)ethyl 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate--hydrogen chloride (1/1)
Basic information
- CAS
21444-39-3- Standard SMILES
CCN(CC)CCOC(=O)C(C)(O)c1nn(-c2ccccc2)c2c1CCCC2.Cl- InChIKey
HVQZKFHXILSSHG-UHFFFAOYSA-N- Molecular formula
- C22H32ClN3O3
- Average molar mass
- 422 g/mol
- Monoisotopic mass
- 421.2132196
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate--hydrogen chloride (1/1)
- IUPAC
- 2-(diethylamino)ethyl 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoate;hydrochloride
Names & synonyms
21444-39-3DTXSID109440272-(Diethylamino)ethyl 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate--hydrogen chloride (1/1)RefChem:1061657DTXCID301372382Poli 1451H-Indazole-3-glycolic acid, 4,5,6,7-tetrahydro-alpha-methyl-1-phenyl-, 2-(diethylamino)ethyl ester, monohydrochloride
Database identifiers
- CAS
21444-39-3- PubChem CID
- 210622
- DTXSID
DTXSID10944027
Properties
Computed structural properties
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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