Basic information
- CAS
82241-22-3- Standard SMILES
Cc1cc(N2CCNCC2)c2ccccc2n1- InChIKey
XYBLCORUTWKJOI-UHFFFAOYSA-N- Molecular formula
- C14H17N3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.14224754
Names & identifiers
- Preferred name
- 2-Methyl-4-(piperazin-1-yl)quinoline
- IUPAC
- 2-methyl-4-piperazin-1-ylquinoline
- English name
- 2-Methyl-4-piperazinoquinoline
- Molecular formula
- C14H17N3
- Molecular weight
- 227.3
Names & synonyms
2-Methyl-4-(piperazin-1-yl)quinolineRefChem:475529638-913-72-Methyl-4-Piperazinoquinoline82241-22-32-methyl-4-piperazin-1-ylquinolineMFCD019357452-methyl-4-(1-piperazinyl)quinoline2-Methyl-4-piperazin-1-yl-quinolineCHEMBL2335165Maybridge1_006771ChemDivAM_001084
Show more names
TOSLAB 8051732-Methyl-4-piperzino quinoline1-(2-Methylquinolin-4-yl)piperazine
Quinoline, 2-methyl-4-(1-piperazinyl)-(2-methyl-4-quinolyl)piperazineCBMicroCBMicro_045139ChemDiv1_022892Cambridge id 6095001Oprea1_194949SCHEMBL899675
Database identifiers
- CAS
82241-22-3- PubChem CID
- 702318
- DTXSID
DTXSID20351526- ChEMBL
CHEMBL2335165- EC Number
- 638-913-7
- Nikkaji
- J3.546.108F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 101 °C · 101 °C
- Boiling point
- 420 · 420.0±40.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 11.03 · 11.03±0.50(Predicted)
- color
- Pale yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Corrosive
- HS Code
- 2933499090 · 2933499090
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Safety data
- hs_code
- 2933499090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses2-Methyl-4-piperazinoquinoline is used in the preparation of E3 ubiquitin ligases comprising a targeted protein degrader for the treatment of cancer.
Suppliers37 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
15 records
Compound notes
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