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N-Carboethoxy-4-piperidone structure, CAS 29976-53-2

N-Carboethoxy-4-piperidone

CAS Number29976-53-2

SynonymsEthyl 4-oxo-1-piperidinecarboxylate; N-carboethoxy-4-piperidinone; 1-CARBETHOXY-4-PIPERIDONE; 4-oxo-piperidine-1-carboxylic acid ethyl ester; EINECS 249-984-5; AURORA KA-3057; MFCD00006188; N-Ethoxycarbonyl-4-piperidinone; 1-Ethoxycarbonyl-4-piperidinone; ethyl 4-oxopiperidine-1-carboxylate; N-ETHOXYCARBONYL-4-PIPERIDONE; N-Carbethoxy-4-piperidone; 1-Carbethoxy-4-piperidone,1-Ethoxycarbonyl-4-piperidone,Ethyl 4-oxo-1-piperidinecarboxylate; 1-(Ethoxycarbonyl)-4-piperidone; carbethoxy-4-piperidone; 4-Oxo-1-piperidinecarboxylic acid ethyl ester; N-Carbethoxy-4-piperidon; Ethyl-4-oxopiperidin-1-carboxylat; 1-carboethoxy-4-piperidone; 1-Ethoxycarbonyl-4-oxopiperidine; N-CARBOETHOXY-4-PIPERIDONE; 1-Piperidinecarboxylic acid, 4-oxo-, ethyl ester; 1-Ethoxycarbonyl-4-piperidone; N-Carbithoxy-4-Pipe

Molecular FormulaC8H13NO3

Molecular Weight171.19

Purity98%

Density1.2±0.1 g/cm3

Boiling Point273.4±33.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancecolorless liquid

EINECS249-984-5

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9008520 Purity: 98%
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Quality Control of [ 29976-53-2 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number29976-53-2
Catalog No.2A-9008520
Chinese NameN-乙氧羰基-4-哌啶酮
SynonymsEthyl 4-oxo-1-piperidinecarboxylate; N-carboethoxy-4-piperidinone; 1-CARBETHOXY-4-PIPERIDONE; 4-oxo-piperidine-1-carboxylic acid ethyl ester; EINECS 249-984-5; AURORA KA-3057; MFCD00006188; N-Ethoxycarbonyl-4-piperidinone; 1-Ethoxycarbonyl-4-piperidinone; ethyl 4-oxopiperidine-1-carboxylate; N-ETHOXYCARBONYL-4-PIPERIDONE; N-Carbethoxy-4-piperidone; 1-Carbethoxy-4-piperidone,1-Ethoxycarbonyl-4-piperidone,Ethyl 4-oxo-1-piperidinecarboxylate; 1-(Ethoxycarbonyl)-4-piperidone; carbethoxy-4-piperidone; 4-Oxo-1-piperidinecarboxylic acid ethyl ester; N-Carbethoxy-4-piperidon; Ethyl-4-oxopiperidin-1-carboxylat; 1-carboethoxy-4-piperidone; 1-Ethoxycarbonyl-4-oxopiperidine; N-CARBOETHOXY-4-PIPERIDONE; 1-Piperidinecarboxylic acid, 4-oxo-, ethyl ester; 1-Ethoxycarbonyl-4-piperidone; N-Carbithoxy-4-Pipe
Molecular FormulaC8H13NO3
Molecular Weight171.19
Purity98
Density1.2±0.1 g/cm3
Boiling Point273.4±33.0 °C at 760 mmHg
Appearancecolorless liquid
Water Solubilityslightly soluble
Storage ConditionKeep the receptacle sealed, stored in a cool, dry
ApplicationN-Methoxy-4-piperidone is a metabolite of loratadine (HY-17043). Loratadine is a selective reverse peripheral histamine H1 receptor agonist with anti-dengue virus (DENV) activity [1][2][3].
EINECS249-984-5
HTC2933399090
UN(IATA)UN 1993
PubChem ID24849369
MDL NumberMFCD00006188
SMILESCCOC(=O)N1CCC(=O)CC1
InChI1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3
InChI KeyLUBGFMZTGFXIIN-UHFFFAOYSA-N
Beilstein/REAXYS640967
NACRES CodeNA.22
UNSPSC12352100
Hazard SymbolsTransport
Risk CodesR22;R36/38
Safety DescriptionS26;S37/39
BioactivityN-Carbethoxy-4-piperidone is a metabolite of Loratadine (HY-17043). Loratadine is a selective inverse peripheral histamine H1-receptor agonist, and shows anti-dengue-virus (DENV) activity[1][2][3]. In Vitro N-Carbethoxy-4-piperidone (piperidinone 4) shows toxicity to C. dubia, B. calyciflorus and P. subcapitata[1]. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 273.4±33.0 °C at 760 mmHg Molecular Formula C8H13NO3 Molecular Weight 171.194 Flash Point 87.8±0.0 °C Exact Mass 171.089539 PSA 46.61000 LogP -0.31 Vapour Pressure 0.0±0.6 mmHg at 25°C Index of Refraction 1.483 InChIKey LUBGFMZTGFXIIN-UHFFFAOYSA-N SMILES CCOC(=O)N1CCC(=O)CC1 Storage condition 2-8°C Water Solubility slightly soluble
Use ofN-Carbethoxy-4-piperidone is a metabolite of Loratadine (HY-17043). Loratadine is a selective inverse peripheral histamine H1-receptor agonist, and shows anti-dengue-virus (DENV) activity[1][2][3]. Properties Name N-Carbethoxy-4-piperidone Synonym More Synonyms N-Carbethoxy-4-piperidone Biological Activity Description N-Carbethoxy-4-piperidone is a metabolite of Loratadine (HY-17043). Loratadine is a selective inverse peripheral histamine H1-receptor agonist, and shows anti-dengue-virus (DENV) activity[1][2][3]. In Vitro N-Carbethoxy-4-piperidone (piperidinone 4) shows toxicity to C. dubia, B. calyciflorus and P. subcapitata[1]. Chemical & Physical Properties Molecular Formula C8H13NO3 Exact Mass 171.089539 PSA 46.61000 LogP -0.31 Index of Refraction 1.483 InChIKey LUBGFMZTGFXIIN-UHFFFAOYSA-N Water Solubility slightly soluble
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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