Basic information
- CAS
7225-14-1- Standard SMILES
Cc1c(N)[nH+]c(C)c2c1[nH]c1ccccc12- InChIKey
LVTKHGUGBGNBPL-UHFFFAOYSA-O- Molecular formula
- C13H14N3+
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.11877246
Names & identifiers
- Preferred name
- 1,4-dimethyl-5H-pyrido[4,3-b]indol-2-ium-3-amine
- IUPAC
- 1,4-dimethyl-5H-pyrido[4,3-b]indol-2-ium-3-amine
Names & synonyms
7225-14-11,4-dimethyl-5H-pyrido[4,3-b]indol-2-ium-3-amineDTXSID204118713-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indol-2-ium
Database identifiers
- CAS
7225-14-1- PubChem CID
- 5232175
- DTXSID
DTXSID20411871
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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