Basic information
- CAS
83-54-5- Standard SMILES
Cn1ccc(=O)c2ccccc21- InChIKey
CSJAXRKDCCWCSJ-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Overview
Echinopsine is a member of quinolines.
Names & identifiers
- Preferred name
- 1-Methyl-4-quinolone
- IUPAC
- 1-methylquinolin-4-one
- English name
- 1-methyl-4-quinolone
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
Echinopsine83-54-51-Methyl-4-quinolone1-methylquinolin-4-oneN-Methyl-4-quinolone1-Methyl-4(1H)-quinolone1,4-Dihydro-1-methyl-4-oxoquinoline4(1H)-QUINOLONE, 1-METHYL-17MMY7OK1UDTXSID30232110RefChem:136233DTXCID30154601
Show more names
C106631-methyl-4-quinolineone1-Methyl-1H-quinolin-4-one
201-485-31-methylquinolin-4(1H)-oneEchinopsin1-Methyl-4(1H)-quinolinone1-methyl-1,4-dihydroquinolin-4-oneN-Methyl-gamma-quinoline4(1H)-Quinolinone,1-methyl-4(1H)-Quinolinone, 1-methyl-
Database identifiers
- CAS
83-54-5- PubChem CID
- 6748
- DTXSID
DTXSID30232110- ChEBI
CHEBI:4749- UNII
- 17MMY7OK1U
- EC Number
- 201-485-3
- Nikkaji
- J10.608I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP0.44
Physicochemical properties
- Melting point
- 152 ° · 152°
- Boiling point
- 284.68 °C · 284.68°C (rough estimate)
- Density
- 1.1202 · 1.1202 (rough estimate)
- refractive index
- 1.607 · 1.6070 (estimate)
- storage temp.
- RT, protect from light
- pka
- 2.5 · 2.50±0.50(Predicted)
- Appearance
- White to yellow Solid
- FDA UNII
- 17 MMY7OK1U · 17MMY7OK1U
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
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]
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%)
Safety data
- Toxicity
- LD100 s.c. in mice: 600 mg/kg (Turova)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers27 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Related reactions
4 records
Compound notes
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