2,3-Dimethyl-3H-benzo[e]indole
Basic information
- CAS
40174-39-8- Standard SMILES
Cc1cc2c3ccccc3ccc2n1C- InChIKey
ARTYIXTWUDPVQF-UHFFFAOYSA-N- Molecular formula
- C14H13N
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.10479942
Names & identifiers
- Preferred name
- 2,3-Dimethyl-3H-benzo[e]indole
- IUPAC
- 2,3-dimethylbenzo[e]indole
- English name
- 2,3-Dimethyl-1H-benz[e]indole
- Molecular formula
- C14H13N
- Molecular weight
- 195.26
Names & synonyms
2,3-Dimethyl-3H-benzo[e]indoleMFCD090567213H-Benz[e]indole, 2,3-dimethyl-2,3-Dimethyl-1H-Benz [e] IndoleAKOS0063323032,3-DIMETHYL-3H-BENZ[E]INDOLESY5571401.2-Dimethyl-4.5-benzindole2,3-Dimethyl-1H-Benz[e]Indole2,3-DiMethyl-2,3-dihydro-1H-benzo[e]indole
Database identifiers
- CAS
40174-39-8- PubChem CID
- 29919854
- Nikkaji
- J2.855.708F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 104 · 104-106 °C
- Boiling point
- 369.7 · 369.7±11.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- InChI
- InChI=1S/C14H13N/c1-10-9-13-12-6-4-3-5-11(12)7-8-14(13)15(10)2/h3-9H,1-2H3
- InChIKey
- ARTYIXTWUDPVQF-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C(C3=CC=CC=C3C=C2)C=C1C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P302+P352-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
- Precautionary statements
- P261-P302+P352-P305+P351+P338
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Related reactions
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Compound notes
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