Basic information
- CAS
533-15-3- Standard SMILES
CN1CCCCC1CCO- InChIKey
OVMRRCXDBKEQIU-UHFFFAOYSA-N- Molecular formula
- C8H17NO
- Average molar mass
- 143.23 g/mol
- Monoisotopic mass
- 143.13101417
Names & identifiers
- Preferred name
- 2-Piperidineethanol, 1-methyl-
- IUPAC
- 2-(1-methylpiperidin-2-yl)ethanol
- English name
- N-Methylpiperidine-2-ethanol
- Molecular formula
- C8H17NO
- Molecular weight
- 143.23
Names & synonyms
533-15-32-Piperidineethanol, 1-methyl-1-Methylpiperidine-2-ethanolEINECS 208-554-7NSC 75616DTXSID90862134RefChem:478290DTXCID80810942208-554-72-(1-methylpiperidin-2-yl)ethanolN-METHYLPIPERIDINE-2-ETHANOL2-(1-methylpiperidin-2-yl)ethan-1-ol
Show more names
Thioridazine Impurity 111-methyl-2-piperidineethanoN-METHYL-2-PIPERIDINE ETHANOL
MFCD006731411-methyl-2-piperidineethanollobelol2-(1-methyl-2-piperidyl)ethanolN-Methyl-piperidineethanolSCHEMBL803674SCHEMBL2385205SCHEMBL4429470
Database identifiers
- CAS
533-15-3- PubChem CID
- 98085
- DTXSID
DTXSID90862134- EC Number
- 208-554-7
- Nikkaji
- J188.374G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Physicochemical properties
- Boiling point
- 82 · 82-84 °C(Press: 19 Torr)
- Density
- 0.98 g/cm3 · 0.98 g/cm3 (20℃)
- vapor pressure
- 3.62 · 3.62-5.08Pa at 20-25℃
- refractive index
- 1.48 · 1.48 (20°C)
- Flash point
- 106 °C · 106°C
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 15.15 · 15.15±0.10(Predicted)
- form
- Liquid
- PH
- 11.2 · 11.2 (50g/l, H2O, 20℃)
- InChI
- 1S/C8H17NO/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3
- InChIKey
- OVMRRCXDBKEQIU-UHFFFAOYSA-N
- LogP
- 0.3 · 0.3-1.139 at 25℃ and pH6-10.4
- EPA Substance Registry System
- 2 · 2-Piperidineethanol, 1-methyl- (533-15-3)
- UNSPSC Code
- 12352104 · 12352104
- Symbol(GHS)
- 5 · GHS05,GHS07
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
This chemical does not meet GHS hazard criteria for 92.5% (37 of 40) of all reports.
Not Classified
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 1-methylpiperidine-2-ethanol (EC: 208-554-7)
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 1 slightly water endangering
- tsca
- TSCA listed
- hs_code
- 2933 39 99
- Toxicity
- LD50 orally in Rabbit: 1800 mg/kg
- risk_code
- 22-37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H314
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Piperidineethanol, 1-methyl-: ACTIVE
Applications
UsesThioridazine intermediate. Useful for preparing imidazolopyridines and imidazolopyrazines as SIK kinase inhibitors.
Suppliers30 total
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
阜阳欣奕华制药科技有限公司13866224493 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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