Gamma-Carboline
Basic information
- CAS
244-69-9- Standard SMILES
c1ccc2c(c1)[nH]c1ccncc12- InChIKey
RDMFHRSPDKWERA-UHFFFAOYSA-N- Molecular formula
- C11H8N2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.06874826
Overview
5H-Pyrido[4,3-b]indole is a pyridoindole.
Names & identifiers
- Preferred name
- Gamma-Carboline
- IUPAC
- 5H-pyrido[4,3-b]indole
- English name
- gamma-carboline
- Molecular formula
- C11H8N2
- Molecular weight
- 168.19
Names & synonyms
5H-Pyrido[4,3-b]indole244-69-9gamma-Carboline5H-Pyrido(4,3-b)indoleNSC-16047089407EP2HEDTXSID80179147RefChem:639578DTXCID10101638895-494-53-azacarbazolePyrido[4,3-b]indole
Show more names
γ-Carboline3-PIg-Carboline5H-Pyrido[4,3-b] indole 99%
MFCD009659765-Carboline.gamma.-CarbolineNSC 160470CHEMBL12540SCHEMBL121401SCHEMBL4127392HMS2216C05
Database identifiers
- CAS
244-69-9- PubChem CID
- 130802
- DTXSID
DTXSID80179147- ChEMBL
CHEMBL12540- ChEBI
CHEBI:182291- UNII
- 89407EP2HE
- EC Number
- 895-494-5
- Nikkaji
- J10.932K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 230 · 230-231℃ (methanol water )
- Boiling point
- 391.3 · 391.3±15.0 °C(Predicted)
- Density
- 1.352 · 1.352
- refractive index
- 1.664 · 1.664 (589.3 nm 25℃)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 15.08 · 15.08±0.30(Predicted)
- color
- White to Light yellow to Light orange
- Merck
- 14 · 14,1805
- InChI
- InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-7,13H
- InChIKey
- RDMFHRSPDKWERA-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C2C=NC=CC1=2
- FDA UNII
- 89407 EP2HE · 89407EP2HE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H317-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 5H-Pyrido[4,3-b]indole is a pyridoindole.
Related reactions
14 records
Compound notes
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