Basic information
- CAS
91062-48-5- Standard SMILES
Nc1cc(Br)ccc1N1CCOCC1- InChIKey
JAINJKOIAULFCQ-UHFFFAOYSA-N- Molecular formula
- C10H13BrN2O
- Average molar mass
- 257.13 g/mol
- Monoisotopic mass
- 256.02112514
Names & identifiers
- Preferred name
- 5-Bromo-2-morpholin-4-ylaniline
- IUPAC
- 5-bromo-2-morpholin-4-ylaniline
- English name
- 5-BROMO-2-MORPHOLIN-4-YLANILINE
- Molecular formula
- C10H13BrN2O
- Molecular weight
- 257.13
Names & synonyms
91062-48-55-Bromo-2-morpholinoaniline5-bromo-2-morpholin-4-ylaniline5-bromo-2-(morpholin-4-yl)aniline5-BROMO-2-(4-MORPHOLINYL)ANILINEMFCD066607605-bromo-2-(4-morpholinyl)Benzenamine5-bromo-2-morpholino-anilineSCHEMBL27115945-bromo-2-morpholinobenzenamineDTXSID10406958JAINJKOIAULFCQ-UHFFFAOYSA-N
Show more names
Benzenamine, 5-bromo-2-(4-morpholinyl)-
RDA06248AKOS000123030AS-43729SY148082DB-078898EN300-12395A1-22665Z119989794
Database identifiers
- CAS
91062-48-5- PubChem CID
- 4961871
- DTXSID
DTXSID10406958- EC Number
- 192-679-6
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 123 °C · 123 °C
- Boiling point
- 393.3 · 393.3±42.0 °C(Predicted)
- Density
- 1.501 · 1.501±0.06 g/cm3(Predicted)
- pka
- 6.4 · 6.40±0.40(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers6 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
5 records
Compound notes
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