Basic information
- CAS
6329-10-8- Standard SMILES
CCOC(=O)N1C2c3ccccc3C(c3ccccc32)N1C(=O)OCC- InChIKey
VJHCBURXSKGWJA-UHFFFAOYSA-N- Molecular formula
- C20H20N2O4
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.14230712
Names & identifiers
- Preferred name
- Diethyl 9,10-dihydro-9,10-diazanoanthracene-11,12-dicarboxylate
- IUPAC
- diethyl 15,16-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
- English name
- 9,10-Dihydro-anthracene-9,10-biimine-11,12-dicarboxylicaciddiethylester
- Molecular formula
- C20H20N2O4
- Molecular weight
- 352.388
Names & synonyms
6329-10-8Diethyl 9,10-dihydro-9,10-diazanoanthracene-11,12-dicarboxylate6R5UZ5S754NSC-44040NSC-408465UNII-6R5UZ5S754DTXSID20212683NSC 44040Anthracene-9,10-biimine-11,12-dicarboxylic acid, 9,10-dihydro-, diethyl esterANTHRACENE-9,10-BIIMINE-11,12-DICARBOXYLIC ACID, 9,10-DIHYDRO-, 11,12-DIETHYL ESTERRefChem:133396DTXCID50135174
Show more names
DIETHYL 9,10-DIHYDROANTHRACENE-9,10-BIIMINE-11,12-DICARBOXYLATE
NSC44040MLS002608588Diethyl 9,10-dihydro-9,10-epidiazanoanthracene-11,12-dicarboxylateCHEMBL1866979VJHCBURXSKGWJA-UHFFFAOYSA-NHMS3091K20NSC408465AKOS024431987
Database identifiers
- CAS
6329-10-8- PubChem CID
- 239200
- DTXSID
DTXSID20212683- ChEMBL
CHEMBL1866979
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- FDA UNII
- 6 R5UZ5S754 · 6R5UZ5S754
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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