Basic information
- CAS
532-05-8- Standard SMILES
O=C(Nc1ccc2ncccc2c1)Nc1ccc2ncccc2c1- InChIKey
MJNIRKGFUIUCQO-UHFFFAOYSA-N- Molecular formula
- C19H14N4O
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.11676108
Names & identifiers
- Preferred name
- 1,3-Di-6-quinolylurea
- IUPAC
- 1,3-di(quinolin-6-yl)urea
- English name
- 1,3-di-6-quinolylurea
- Molecular formula
- C19H14N4O
- Molecular weight
- 314.34
Names & synonyms
1,3-Di-6-quinolylurea532-05-8NSC-71881OS8SLN7588EINECS 208-525-9Urea, N,N'-di-6-quinolinyl-DTXSID60201253NSC 718811,3-DI-6-QUINOLYLUREA [MI]RefChem:414197DTXCID60123744208-525-9
Show more names
1,3-Bis(6-quinolyl)urea
1,3-di(quinolin-6-yl)ureaNSC71881N,N'-di(6-quinolinyl)ureaMLS000736791BabesanDiarylurea 41,3-bis(quinolin-6-yl)ureaUNII-OS8SLN7588
Database identifiers
- CAS
532-05-8- PubChem CID
- 68281
- DTXSID
DTXSID60201253- ChEMBL
CHEMBL357170- UNII
- OS8SLN7588
- EC Number
- 208-525-9
- Nikkaji
- J182.302G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- FDA UNII
- 8 SLN7588 · OS8SLN7588
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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