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Basic information
- CAS
5519-50-6- Standard SMILES
CN1CCCC(=O)C1- InChIKey
SIKTVUHUQZNEPY-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- 3-Piperidinone, 1-methyl-
- IUPAC
- 1-methylpiperidin-3-one
- English name
- 1-methylpiperidin-3-one
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
1-methylpiperidin-3-one5519-50-61-Methyl-3-piperidinone3-Piperidinone, 1-methyl-DTXSID30203688RefChem:505035DTXCID60126179825-673-51-METHYL-PIPERIDIN-3-ONEMFCD07374379CHEMBL47455421-methyl-3-piperidone
Show more names
N-Methyl-3-piperidinone
l-methyl-3-piperidoneSCHEMBL3426416SCHEMBL3426417SCHEMBL5473121SIKTVUHUQZNEPY-UHFFFAOYSA-SIKTVUHUQZNEPY-UHFFFAOYSA-NBDBM50561635AKOS006285841
Database identifiers
- CAS
5519-50-6- PubChem CID
- 79656
- DTXSID
DTXSID30203688- ChEMBL
CHEMBL4745542- EC Number
- 825-673-5
- Nikkaji
- J99.902D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 165 ℃ · 165℃
- Density
- 0.992 · 0.992
- refractive index
- 1.4559 · 1.4559 (estimate)
- Flash point
- 49 ℃ · 49℃
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly)
- form
- Oil
- pka
- 7.05 · 7.05±0.20(Predicted)
- color
- Orange to Dark Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-Methylpiperidin-3-one (CAS# 5519-50-6) is a useful reactant for preparing a high-temperature proton exchange membrane for fuel cells.
Suppliers50 total
韶远科技(上海)有限公司4000665055 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京腾怡生物科技有限公司17714337195 · [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]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
杭州辅润医药科技有限公司15658004993 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
斯洋（辽宁）生化制品有限公司+86-15221114306; +86-15221114306 · [email protected]
Related reactions
6 records
Compound notes
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