Basic information
- CAS
176721-27-0- Standard SMILES
Cc1ccc2c(c1)-c1c(cnn1CC(C)N)C2- InChIKey
NCAMILSMRLQSIQ-UHFFFAOYSA-N- Molecular formula
- C14H17N3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.14224756
Names & identifiers
- Preferred name
- alpha,7-Dimethylindeno(1,2-c)pyrazole-1(4H)-ethanamine
- IUPAC
- 1-(7-methyl-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine
Names & synonyms
176721-27-0Ro 60-0457alpha,7-Dimethylindeno(1,2-c)pyrazole-1(4H)-ethanamineDTXSID909388431-(7-Methylindeno[1,2-c]pyrazol-1(4H)-yl)propan-2-amineIndeno(1,2-c)pyrazole-1(4H)-ethanamine, alpha,7-dimethyl-
Database identifiers
- CAS
176721-27-0- PubChem CID
- 3045231
- DTXSID
DTXSID90938843
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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