Basic information
- CAS
130005-62-8- Standard SMILES
Cc1cc(N)c(C)c2c1[nH]c1ccc(O)cc12- InChIKey
ATEYWSRWQMDQJD-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- 9H-Carbazol-3-ol, 6-amino-5,8-dimethyl-
- IUPAC
- 6-amino-5,8-dimethyl-9H-carbazol-3-ol
- English name
- 9H-Carbazol-3-ol, 6-amino-5,8-dimethyl-
- Molecular formula
- C14H14N2O
- Molecular weight
- 226.27
Names & synonyms
6-Amino-5,8-dimethyl-9H-carbazol-3-ol9H-Carbazol-3-ol, 6-amino-5,8-dimethyl-130005-62-81,4-Dimethyl-6-hydroxy-3-aminocarbazoleCCRIS 8648DTXSID50156288RefChem:313366DTXCID7078779NSC652570QPF6BXK5XUCHEMBL1995514SCHEMBL23223701
Show more names
3-amino-1,4-dimethyl-6-hydroxy-9H-carbazole
NSC-652570NCI60_018393
Database identifiers
- CAS
130005-62-8- PubChem CID
- 148155
- DTXSID
DTXSID50156288- ChEMBL
CHEMBL1995514- UNII
- QPF6BXK5XU
- Nikkaji
- J362.821C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 250 °C · 250 °C(Solv: acetonitrile (75-05-8))
- Boiling point
- 515.1 · 515.1±45.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 10.3 · 10.30±0.30(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…