Basic information
- CAS
345371-03-1- Standard SMILES
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)OCO2- InChIKey
YUDCYZDTZSCVSS-UHFFFAOYSA-N- Molecular formula
- C24H27NO4
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.19400834
Names & identifiers
- Preferred name
- 9-(1,3-Benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
- IUPAC
- 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
- English name
- 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
- Molecular formula
- C24H27NO4
- Molecular weight
- 393.48
Names & synonyms
CBMicro_002532Cambridge id 6218692Oprea1_631769Oprea1_823744HMS1672G02SMSF0017380STK868571AKOS000609406CB041259-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dioneBIM-0002362.P001ST50010732
Show more names
1,8(2H,5H)-Acridinedione, 9-(1,3-benzodioxol-5-yl)-3,4,6,7,9,10-hexahydro-3,3,6,6-tetramethyl-
3,3,6,6-tetramethyl-9-(3,4-methylenedioxyphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione345371-03-19-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione9-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,9,10-octa hydroacridine-1,8-dione9-(benzo[d][1,3]dioxol-5-yl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Database identifiers
- CAS
345371-03-1- PubChem CID
- 982995
- EC Number
- 158-332-8
- Nikkaji
- J1.781.934H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 782
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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