Basic information
- CAS
71993-15-2- Standard SMILES
CC(=O)c1c(C)nc2ccccc2c1N- InChIKey
YFGFFNPPTDOYLI-UHFFFAOYSA-N- Molecular formula
- C12H12N2O
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.09496301
Names & identifiers
- Preferred name
- 1-(4-Amino-2-methylquinolin-3-yl)ethanone
- IUPAC
- 1-(4-amino-2-methylquinolin-3-yl)ethanone
- English name
- 1-(4-AMINO-2-METHYLQUINOLIN-3-YL)ETHANONE
- Molecular formula
- C12H12N2O
- Molecular weight
- 200.24
Names & synonyms
1-(4-amino-2-methylquinolin-3-yl)ethanone71993-15-2DTXSID40350051RefChem:224776DTXCID603011211-(4-amino-2-methylquinolin-3-yl)ethan-1-oneCHEMBL15312571-(4-amino-2-methyl-3-quinolyl)ethanone1-(4-amino-2-methyl-3-quinolinyl)ethanoneSMR000079846MLS000066220MLS005940053
Show more names
Ethanone,1-(4-aMino-2-Methyl-3-quinolinyl)-1-(4-amino-2-methylquinolin-3-yl)ethan-1-one - [A93168]
SCHEMBL6654332CHEBI:111296HMS2303A08HMS5173G193-acetyl-4-amino-2-methylquinolineBDBM50110699EBC-06546MFCD04220752
Database identifiers
- CAS
71993-15-2- PubChem CID
- 672297
- DTXSID
DTXSID40350051- ChEMBL
CHEMBL1531257- ChEBI
CHEBI:111296- EC Number
- 979-599-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 151 · 151-153 °C(Solv: benzene (71-43-2))
- Boiling point
- 369.3 · 369.3±37.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 7.68 · 7.68±0.50(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Additional notes
DefinitionChEBI: 1-(4-amino-2-methyl-3-quinolinyl)ethanone is an aminoquinoline.
Related reactions
19 records
Compound notes
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