Basic information
- CAS
307538-52-9- Standard SMILES
Brc1ccc2ncnc(N3CCOCC3)c2c1- InChIKey
HQJHKFWXUFPBHU-UHFFFAOYSA-N- Molecular formula
- C12H12BrN3O
- Average molar mass
- 294.15 g/mol
- Monoisotopic mass
- 293.01637
Names & identifiers
- Preferred name
- 4-(6-Bromoquinazolin-4-yl)morpholine
- IUPAC
- 4-(6-bromoquinazolin-4-yl)morpholine
- English name
- 6-bromo-4-morpholin-4-ylquinazoline
- Molecular formula
- C12H12BrN3O
- Molecular weight
- 294.15
Names & synonyms
4-(6-bromoquinazolin-4-yl)morpholine307538-52-96-bromo-4-morpholin-4-ylquinazoline6-BROMO-4-(4-MORPHOLINYL)QUINAZOLINEMFCD004410446-bromo-4-(morpholin-4-yl)quinazolineChemDiv2_004192Cambridge id 6140947Oprea1_231986SCHEMBL3117120HQJHKFWXUFPBHU-UHFFFAOYSA-NHMS1380O12
Show more names
NSC727841STL298531AKOS002262953NSC-727841IDI1_002907ST076982Quinazoline, 6-bromo-4-(4-morpholinyl)-DB-341719
Database identifiers
- CAS
307538-52-9- PubChem CID
- 720652
- EC Number
- 108-335-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 448.5 · 448.5±45.0 °C(Predicted)
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- pka
- 9.15 · 9.15±0.50(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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