Basic information
- CAS
30020-98-5- Standard SMILES
Cn1cc(-c2ccccc2)c2ccccc21- InChIKey
CXQGBMJSAAFWDF-UHFFFAOYSA-N- Molecular formula
- C15H13N
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.10479942
Names & identifiers
- Preferred name
- 1-Methyl-3-phenylindole
- IUPAC
- 1-methyl-3-phenylindole
- English name
- 1-methyl-3-phenyl-1H-indole
- Molecular formula
- C15H13N
- Molecular weight
- 207.27
Names & synonyms
1-Methyl-3-phenylindole1-Methyl-3-phenyl-1H-indole30020-98-5SCHEMBL695819SCHEMBL1310255SCHEMBL2202473SCHEMBL3131200SCHEMBL3149953SCHEMBL273623451-Methyl-3-phenyl-1H-indole #DTXSID201310163DA-07213
Show more names
1H-Indole, 1-methyl-3-phenyl-
AE-562/12222389InChI=1/C15H13N/c1-16-11-14(12-7-3-2-4-8-12)13-9-5-6-10-15(13)16/h2-11H,1H
Database identifiers
- CAS
30020-98-5- PubChem CID
- 610176
- DTXSID
DTXSID201310163- Nikkaji
- J681.932J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 382 · 382.0±21.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
德拜科技有限公司00852-2521 1836
Related reactions
2 records
Compound notes
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