Basic information
- CAS
17952-87-3- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCNC3=O- InChIKey
PWARHDUWOJUADN-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Overview
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one is a member of beta-carbolines.
Names & identifiers
- Preferred name
- 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
- IUPAC
- 6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
- English name
- 2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-one
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
17952-87-36-Methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-one6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one39TAX3LQ5VDTXSID701708256-methoxy-2,3,4,9-tetrahydropyrido(3,4-b)indol-1-oneRefChem:1059202DTXCID8093316241-880-86-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
Show more names
6-Methoxytetrahydro-1-norharmanoneRMA-366Tryptophan Impurity 6Melatonin Impurity 603,4-Dihydro-6-methoxy-β-carboline-1(2H)-one6-methoxy-2,3,4,9-tetrahydro-$b-carbolin-1-one6-methoxy-2,3,4,9-tetrahydro-1H-β-carbolin-1-one
1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-6-methoxy-MFCD00086220CHEMBL615056-Methoxy-2,3,4,9-tetrahydro-1H-?-carbolin-1-oneF0348-13096-methoxy-2,3,4-trihydrobeta-carbolin-1-one6-Methoxy-2,3,4,9-tetrahydro-beta-carbolin-1-oneEINECS 241-880-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 275 · 275-277 °C
- Boiling point
- 549.2 · 549.2±50.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- pka
- 15.18 · 15.18±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers28 total
河北凡博医药科技有限公司15588346797 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
常州科化生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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