Basic information
- CAS
103325-93-5- Standard SMILES
CCN(CC)Cc1cc(Cl)c2cccnc2c1O- InChIKey
QDFFXEIFWNNJJU-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O
- Average molar mass
- 264.75 g/mol
- Monoisotopic mass
- 264.1029409
Names & identifiers
- Preferred name
- ML-3H2
- IUPAC
- 5-chloro-7-(diethylaminomethyl)quinolin-8-ol
- English name
- 5-Chloro-7-[(diethylamino)methyl]-8-quinolinol
- Molecular formula
- C14H17ClN2O
- Molecular weight
- 264.75
Names & synonyms
ML-3H2RefChem:819027663-251-0103325-93-55-chloro-7-(diethylaminomethyl)quinolin-8-ol5-chloro-7-((diethylamino)methyl)quinolin-8-olHIV-1 INHIBITOR-75-chloro-7-[(diethylamino)methyl]quinolin-8-olIFLab1_0039975-Chloro-7-[(diethylamino)methyl]-8-quinolinolOprea1_348250CHEMBL5200986
Show more names
8-Quinolinol, 5-chloro-7-[(diethylamino)methyl]-
SCHEMBL11955299DTXSID20352018HMS1423F15STL228085AKOS000808440EU-0009298ST45175606H67552
Database identifiers
- CAS
103325-93-5- PubChem CID
- 716637
- DTXSID
DTXSID20352018- ChEMBL
CHEMBL5200986- EC Number
- 663-251-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 390.1 · 390.1±37.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 20 mg/mL · DMSO: soluble20mg/mL
- form
- solid
- pka
- 9.16 · 9.16±0.25(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318
- Precautionary statements
- 280 · P280-P301+P310-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25-41
- Safety Statements
- 26 · 26-39-45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-39-45
- Hazard statements
- H301-H318
- Precautionary statements
- P280-P301+P310-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海锲诺医药科技有限公司021-021-51557188 15901710861 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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