Basic information
- CAS
176721-15-6- Standard SMILES
Cc1ccc2c(c1)-c1c(cnn1C[C@H](C)N)C2(C)C- InChIKey
LZUDNYSYFLGJPK-NSHDSACASA-N- Molecular formula
- C16H21N3
- Average molar mass
- 255.36 g/mol
- Monoisotopic mass
- 255.17354768
Names & identifiers
- Preferred name
- Indeno(1,2-c)pyrazole-1(4H)-ethanamine, alpha,4,4,7-tetramethyl-, (S)-
- IUPAC
- (2S)-1-(4,4,7-trimethylindeno[2,1-d]pyrazol-1-yl)propan-2-amine
Names & synonyms
Ro 60-0440176721-15-6Indeno(1,2-c)pyrazole-1(4H)-ethanamine, alpha,4,4,7-tetramethyl-, (S)-DTXSID10170182(2S)-1-(4,4,7-Trimethylindeno[1,2-c]pyrazol-1(4H)-yl)propan-2-amineIndeno(1,2-c)pyrazole-1(4H)-ethanamine, alpha,4,4,7-tetramethyl-, (alphaS)-
Database identifiers
- CAS
176721-15-6- PubChem CID
- 3045235
- DTXSID
DTXSID10170182- Nikkaji
- J973.444I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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