Basic information
- CAS
34070-47-8- Standard SMILES
CCN(CC)CCOC(=O)C(O)c1nn(C)c2c1CCCC2.Cl.Cl- InChIKey
WFAXDQGRTMCXKJ-UHFFFAOYSA-N- Molecular formula
- C16H29Cl2N3O3
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 381.1585972
Names & identifiers
- Preferred name
- 1H-Indazole-3-glycolic acid, 4,5,6,7-tetrahydro-1-methyl-, 2-(diethylamino)ethyl ester, dihydrochloride
- IUPAC
- 2-(diethylamino)ethyl 2-hydroxy-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetate;dihydrochloride
Names & synonyms
34070-47-81H-Indazole-3-glycolic acid, 4,5,6,7-tetrahydro-1-methyl-, 2-(diethylamino)ethyl ester, dihydrochlorideRefChem:1058094Poli 179DTXSID009556272-(Diethylamino)ethyl hydroxy(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
34070-47-8- PubChem CID
- 214739
- DTXSID
DTXSID00955627
Properties
Computed structural properties
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…