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Basic information
- CAS
244-76-8- Standard SMILES
c1ccc2c(c1)[nH]c1ncccc12- InChIKey
BPMFPOGUJAAYHL-UHFFFAOYSA-N- Molecular formula
- C11H8N2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.06874826
Names & identifiers
- Preferred name
- 9H-Pyrido(2,3-b)indole
- IUPAC
- 9H-pyrido[2,3-b]indole
- English name
- alpha-carboline
- Molecular formula
- C11H8N2
- Molecular weight
- 168.19
Names & synonyms
9H-Pyrido[2,3-b]indole244-76-8alpha-Carboline274Z75I9BQDTXSID401791489H-PYRIDO(2,3-B)INDOLERefChem:429513DTXCID70101639205-960-61-azacarbazolea-Carboline1H-Pyrido[2,3-b]indole
Show more names
Α-CARBOLINE9H-Pyridoindole1,9-Diazafluorene
MFCD004737099H-1,9-Diazafluorene3-Carboline1H-Pyrido(2,3-b)indoleNSC-67064NSC 67064azacarbazoleUNII-274Z75I9BQ
Database identifiers
- CAS
244-76-8- PubChem CID
- 67486
- DTXSID
DTXSID40179148- ChEMBL
CHEMBL259556- ChEBI
CHEBI:182292- UNII
- 274Z75I9BQ
- EC Number
- 205-960-6
- Nikkaji
- J10.930D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- 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
- 210 · 210-212°C
- Boiling point
- 373 ℃ · 373℃
- Density
- 1.301 · 1.301
- Flash point
- 172 ℃ · 172℃
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Acetone, DMSO, Methanol (Slightly, Hetaed)
- form
- Solid
- pka
- 14.53 · 14.53±0.30(Predicted)
- color
- Pale Brown
- λmax
- 338 nm · 338nm(CH3CN)(lit.)
- InChI
- InChI=1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13)
- InChIKey
- BPMFPOGUJAAYHL-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C2=CC=CN=C12
- FDA UNII
- 274 Z75I9BQ · 274Z75I9BQ
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (100%)
Safety data
- hs_code
- 2933.99.8290
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesA carcinogenic compound formed during cooking processes
Upstream & downstream products
Downstream products
Suppliers100 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
T&W GROUP
Related reactions
4 records
Compound notes
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