9,9-Dimethyl-9,10-dihydroacridine

HCID 22647

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Basic information

CAS: 6267-02-3
Standard SMILES: CC1(C)c2ccccc2Nc2ccccc21
InChIKey: JSEQNGYLWKBMJI-UHFFFAOYSA-N
Molecular formula: C15H15N
Average molar mass: 209.29 g/mol
Monoisotopic mass: 209.12044948

Names & identifiers

Preferred name: 9,9-Dimethyl-9,10-dihydroacridine
IUPAC: 9,9-dimethyl-10H-acridine
English name: 9,9-dimethylcarbazine
Molecular formula: C15H15N
Molecular weight: 209.29

Names & synonyms

9,9-Dimethyl-9,10-dihydroacridine6267-02-39,9-DimethylcarbazineAcridine, 9,10-dihydro-9,9-dimethyl-Acridan, 9,9-dimethyl-TOD9JH3PHCDTXSID4064185NSC-36671RefChem:107589DTXCID5043477228-436-99,10-Dihydro-9,9-dimethylacridine

Show more names

BLE, BLE-W, BLE-CNSC 366719-dimethylcarbazine9, 9-dimethylacridine9,9-Dimethyl-9,1-dihydroacridine9,10-dihydro-9,9-dimethyl-acridin

9,9-dimethyl-10H-acridine9,9-DIMETHYLACRIDAN53884-62-1MFCD000301309,9-dimethyl-10(9H)-AcridinyldimethylacridanNSC366719,9-dimethylacridine

Database identifiers

CAS: 6267-02-3
PubChem CID: 22647
DTXSID: DTXSID4064185
UNII: TOD9JH3PHC
EC Number: 228-436-9
Nikkaji: J29.111K

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 234

Physicochemical properties

Melting point: 120 · 120-126℃
Boiling point: 155 °C/1mmHg · 155°C/1mmHg(lit.)
Density: 1.043 · 1.043±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: powder to crystal
pka: 2.05 · 2.05±0.40(Predicted)
color: White to Almost white
λmax: 284 nm · 284nm(CH3CN)(lit.)
InChI: InChI=1S/C15H15N/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10,16H,1-2H3
InChIKey: JSEQNGYLWKBMJI-UHFFFAOYSA-N
SMILES: C1=C2C(NC3=C(C2(C)C)C=CC=C3)=CC=C1
FDA UNII: 9 JH3PHC · TOD9JH3PHC
EPA Substance Registry System: 9 · Acridine, 9,10-dihydro-9,9-dimethyl- (6267-02-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
TSCA: TSCA listed
HS Code: 29339900 · 29339900

Safety & regulation

Safety data

tsca: TSCA listed
hs_code: 29339900
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcridine, 9,10-dihydro-9,9-dimethyl-: INACTIVE

Applications

Uses9,9-Dimethyl-9,10-dihydroacridine are currently being used in the development of thermally activated delayed fluorescence (TADF) molecules which are being researched for their possible efficient deep-blue TADF emitting potential.