Basic information
- CAS
118993-15-0- Standard SMILES
Cc1c(NO)nc(C)c2c1[nH]c1ccccc12- InChIKey
AHCMDZOXJBDTIZ-UHFFFAOYSA-N- Molecular formula
- C13H13N3O
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.10586205
Names & identifiers
- Preferred name
- 5H-Pyrido(4,3-b)indol-3-amine, N-hydroxy-1,4-dimethyl-
- IUPAC
- N-(1,4-dimethyl-5H-pyrido[4,3-b]indol-3-yl)hydroxylamine
Names & synonyms
118993-15-0N-(1,4-dimethyl-5H-pyrido[4,3-b]indol-3-yl)hydroxylamine5H-Pyrido(4,3-b)indol-3-amine, N-hydroxy-1,4-dimethyl-N-Hydroxy-1,4-dimethyl-5H-pyrido(4,3-b)indol-3-amineN-Hydroxy-1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amineDTXSID00152275
Database identifiers
- CAS
118993-15-0- PubChem CID
- 5487965
- DTXSID
DTXSID00152275- Nikkaji
- J2.721.872E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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