Basic information
- CAS
63084-13-9- Standard SMILES
Cc1cc2c(cc1C#N)C(C)(C)C(C)C2(C)C- InChIKey
IFBLMNBANYFBBN-UHFFFAOYSA-N- Molecular formula
- C16H21N
- Average molar mass
- 227.34 g/mol
- Monoisotopic mass
- 227.16739967
Names & identifiers
- Preferred name
- 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-
- IUPAC
- 1,1,2,3,3,6-hexamethyl-2H-indene-5-carbonitrile
- English name
- 2,3-Dihydro-1,1,2,3,3,6-hexamethyl-1H-indene-5-carbonitrile
- Molecular formula
- C16H21N
- Molecular weight
- 227.34
Names & synonyms
1,1,2,3,3,6-Hexamethyl-5-cyanoindan63084-13-91H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-DTXSID10886534RefChem:438627DTXCID301025858SCHEMBL88517781,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-indene-5-carbonitrile2,3-Dihydro-1,1,2,3,3,6-hexamethyl-1H-indene-5-carbonitrile1,1,2,3,3,5-Hexamethylindan-6-NitrileDB-302239
Database identifiers
- CAS
63084-13-9- PubChem CID
- 112552
- DTXSID
DTXSID10886534- Nikkaji
- J429.503J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 308.7 · 308.7±31.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 1 H-Indene-5-carbonitrile, · 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- (63084-13-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-: INACTIVE
Related reactions
1 records
Compound notes
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