Basic information
- CAS
117831-28-4- Standard SMILES
CC(=O)O.Nc1ccc2c(n1)[nH]c1ccccc12- InChIKey
URCVAMYYBOMBSY-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- 2-Amino-9H-pyrido(2,3-b)indole acetate
- IUPAC
- acetic acid;9H-pyrido[2,3-b]indol-2-amine
Names & synonyms
2-Amino-9H-pyrido(2,3-b)indole acetate117831-28-4DTXSID80151928Acetic acid--9H-pyrido[2,3-b]indol-2-amine (1/1)
Database identifiers
- CAS
117831-28-4- PubChem CID
- 147235
- DTXSID
DTXSID80151928
Properties
Computed structural properties
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…