Basic information
- CAS
33757-42-5- Standard SMILES
CC(=O)Nc1cccc2cccnc12- InChIKey
YBWWRMMAWZGAPQ-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Names & identifiers
- Preferred name
- N-8-Quinolinylacetamide
- IUPAC
- N-quinolin-8-ylacetamide
- English name
- 4-22-00-04712 (Beilstein Handbook Reference)
- Molecular formula
- C11H10N2O
- Molecular weight
- 186.21
Names & synonyms
33757-42-58-AcetylaminoquinolineN-8-QuinolinylacetamideQuinoline, 8-acetamido-ACETAMIDE, N-8-QUINOLYL-TTW53KQ3TWNSC-130773DTXSID20876289RefChem:1091503DTXCID101014396N-(quinolin-8-yl)acetamideAcetamide, N-8-quinolinyl-
Show more names
8-(Acetylamino)quinoline8-AcetamidoquinolineN-quinolin-8-ylacetamideN-(8-quinolyl)acetamide4-22-00-04712 (Beilstein Handbook Reference)CHEMBL1866173MFCD00264921CCRIS 1686
Database identifiers
- CAS
33757-42-5- PubChem CID
- 36591
- DTXSID
DTXSID20876289- ChEMBL
CHEMBL1866173- UNII
- TTW53KQ3TW
- Nikkaji
- J501.112D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
LogP1.91
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Boiling point
- 430.9 · 430.9±18.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.37 · 13.37±0.43(Predicted)
- FDA UNII
- 53 KQ3TW · TTW53KQ3TW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers9 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
广州同信医药技术有限公司13660719760 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [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
4 records
Compound notes
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