9H-Pyrido[3,4-b]indole-3-carbonitrile
Basic information
- CAS
83911-48-2- Standard SMILES
N#Cc1cc2c(cn1)[nH]c1ccccc12- InChIKey
RYLDZJANGRBUGW-UHFFFAOYSA-N- Molecular formula
- C12H7N3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.06399724
Names & identifiers
- Preferred name
- 9H-Pyrido[3,4-b]indole-3-carbonitrile
- IUPAC
- 9H-pyrido[3,4-b]indole-3-carbonitrile
- English name
- 9H-Pyrido[3,4-b]indole-3-carbonitrile
- Molecular formula
- C12H7N3
- Molecular weight
- 193.2
Names & synonyms
9H-Pyrido[3,4-b]indole-3-carbonitrile83911-48-2MFCD213372153-cyano-beta-carboline3-Cyano-9H-pyrido[3,4-b]indolebeta-Carboline-3-carbonitrileSCHEMBL7379425CHEMBL5266558DTXSID206020009H-beta-Carboline-3-carbonitrileRYLDZJANGRBUGW-UHFFFAOYSA-N9H-PYRIDO[3,4-B]IN...
Show more names
3-Cyano-β-carbolineβ-Carboline-3-carbonitrile
AKOS016015056BS-41693SY023944DB-360092CS-0060592Y10042F603239
Database identifiers
- CAS
83911-48-2- PubChem CID
- 20059982
- DTXSID
DTXSID20602000- ChEMBL
CHEMBL5266558
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- Appearance
- Off-white to pink Solid
- 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
Related reactions
3 records
Compound notes
Loading…