Basic information
- CAS
361202-25-7- Standard SMILES
Nc1cc(Cl)cc2c1[nH]c1cnccc12- InChIKey
HHZQETZZACUFHE-UHFFFAOYSA-N- Molecular formula
- C11H8ClN3
- Average molar mass
- 217.65 g/mol
- Monoisotopic mass
- 217.04067494
Names & identifiers
- Preferred name
- 6-Chloro-9H-beta-carbolin-8-amine
- IUPAC
- 6-chloro-9H-pyrido[3,4-b]indol-8-amine
- English name
- 6-chloro-8-aMino-β-carboline
- Molecular formula
- C11H8ClN3
- Molecular weight
- 217.65
Names & synonyms
361202-25-7DTXSID606127296-Chloro-9H-beta-carbolin-8-amineRefChem:308065DTXCID605634846-Chloro-9h-pyrido[3,4-b]indol-8-amineCHEMBL817816-Chloro-9H-beta-carbolin-8-ylamine8-amino-6-chloro-b-carbolineSCHEMBL17986326-chloro-8-aMino-beta-carbolineHHZQETZZACUFHE-UHFFFAOYSA-N
Show more names
6-chloro-8-aMino-β-carboline9H-Pyrido[3,4-b]indol-8-amine, 6-chloro-6-CHLORO-9H-PYRIDO[3,4-B]INDOL-8-AMINE(WXG01951)
BDBM50130227MFCD188037736-chloro-9H-beta-carboline-8-ylaminePD129581DB-359508
Database identifiers
- CAS
361202-25-7- PubChem CID
- 21362701
- DTXSID
DTXSID60612729- ChEMBL
CHEMBL81781- Nikkaji
- J2.022.704D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 514.6 · 514.6±45.0 °C(Predicted)
- Density
- 1.517 · 1.517±0.06 g/cm3(Predicted)
- pka
- 15.21 · 15.21±0.40(Predicted)
Chemistry & industry
Suppliers1 total
凯方医药科技有限公司—
Related reactions
19 records
Compound notes
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