Basic information
- CAS
63981-93-1- Standard SMILES
CC(C)c1cc(O)ccc1[N+](C)(C)C.[I-]- InChIKey
JTBVFQWLRHEAMO-UHFFFAOYSA-N- Molecular formula
- C12H20INO
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 321.05896
Overview
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Names & identifiers
- Preferred name
- 3-(Propan-2-yl)-4-(trimethyl-lambda~5~-azanylidene)cyclohexa-2,5-dien-1-one--hydrogen iodide (1/1)
- IUPAC
- (4-hydroxy-2-propan-2-ylphenyl)-trimethylazanium iodide
- English name
- (4-Hydroxy-2-isopropylphenyl)trimethylammonium iodide
- Molecular formula
- C12H20INO
- Molecular weight
- 321.2
Names & synonyms
RefChem:1067227DTXSID30981656DTXCID3014089253-(Propan-2-yl)-4-(trimethyl-lambda~5~-azanylidene)cyclohexa-2,5-dien-1-one--hydrogen iodide (1/1)AMMONIUM, (4-HYDROXY-o-CUMENYL)TRIMETHYL-, IODIDE63981-93-1Phenol, 4-dimethylamino-3-isopropyl-, methiodideTL-1478Phenol, 3-isopropyl-4-dimethylamino-, methiodideAKOS024338783(4-hydroxy-2-propan-2-ylphenyl)-trimethylazanium;iodide(4-Hydroxy-2-isopropylphenyl)trimethylammonium iodide
Database identifiers
- CAS
63981-93-1- PubChem CID
- 46030
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
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Compound notes
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