1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-6-chloro-
Basic information
- CAS
17952-83-9- Standard SMILES
O=C1NCCc2c1[nH]c1ccc(Cl)cc21- InChIKey
LEAGCIWJKRFYRT-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O
- Average molar mass
- 220.65 g/mol
- Monoisotopic mass
- 220.0403406
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-6-chloro-
- IUPAC
- 6-chloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
- English name
- 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
- Molecular formula
- C11H9ClN2O
- Molecular weight
- 220.65
Names & synonyms
6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one6-Chloro-1-tetrahydronorharmanone1H-Pyrido[3,4-b]indol-1-one, 6-chloro-2,3,4,9-tetrahydro-BRN 01963561H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-6-chloro-EINECS 241-879-26-Chloro-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-oneDTXSID101708244-24-00-00567 (Beilstein Handbook Reference)Pyrido[3,4-b]indol-1(2H)-one, 3,4-dihydro-6-chloro-Pyrido(3,4-b)indol-1(2H)-one, 3,4-dihydro-6-chloro-1H-Pyrido(3,4-b)indol-1-one, 6-chloro-2,3,4,9-tetrahydro-
Show more names
6-chloro-2,3,4,9-tetrahydro-$b-carbolin-1-one6-Chloro-2,3,4,9-tetrahydro-1H-β-carbolin-1-one6-chloro-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one
RefChem:240172DTXCID3093315241-879-2LEAGCIWJKRFYRT-UHFFFAOYSA-N17952-83-96-Chloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one6-chloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-oneMFCD00022203
Database identifiers
- CAS
17952-83-9- PubChem CID
- 197964
- DTXSID
DTXSID10170824- ChEMBL
CHEMBL5492189- UNII
- 8BH7ZE6493
- EC Number
- 241-879-2
- Nikkaji
- J51.363F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 225 · 225-226 °C
- Boiling point
- 554.2 · 554.2±50.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 14.57 · 14.57±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 BH7ZE6493 · 8BH7ZE6493
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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