Indeno(1,2-c)pyrazole-1(4H)-ethanamine, 7-ethoxy-alpha-methyl-, (S)-
Basic information
- CAS
176721-41-8- Standard SMILES
CCOc1ccc2c(c1)-c1c(cnn1C[C@H](C)N)C2- InChIKey
ALQJLWHQNJCDTC-JTQLQIEISA-N- Molecular formula
- C15H19N3O
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.15281224
Names & identifiers
- Preferred name
- Indeno(1,2-c)pyrazole-1(4H)-ethanamine, 7-ethoxy-alpha-methyl-, (S)-
- IUPAC
- (2S)-1-(7-ethoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine
Names & synonyms
Ro 60-0546176721-41-8Indeno(1,2-c)pyrazole-1(4H)-ethanamine, 7-ethoxy-alpha-methyl-, (S)-DTXSID30170184(2S)-1-(7-Ethoxyindeno[1,2-c]pyrazol-1(4H)-yl)propan-2-amineIndeno(1,2-c)pyrazole-1(4H)-ethanamine, 7-ethoxy-alpha-methyl-, (alphaS)-
Database identifiers
- CAS
176721-41-8- PubChem CID
- 3045223
- DTXSID
DTXSID30170184- Nikkaji
- J973.441D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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