1-(2-Piperidinyl)ethanone supplier

Name
1-PIPERIDIN-2-YL-ETHANONE
EINECS
CAS No. 97073-22-8
Article Data3
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point
Formula C₇H₁₃NO
Boiling Point 201.6 °C at 760 mmHg
Molecular Weight 127.186
Flash Point 86.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-PIPERIDIN-2-YL-ETHANONE;2-ACETYLPIPERIDINE;Ethanone, 1-(2-piperidinyl)- (9CI);1-Boc-Piperidin-2-yl-ethanone;1-(2-Piperidinyl)ethanone;Ethanone, 1-(2-piperidinyl)-;1-(piperidin-2-yl)ethan-1-one
PSA 29.10000
LogP 1.04630

1-(2-Piperidinyl)ethanone Specification

The 1-(2-Piperidinyl)ethanone is an organic compound with the formula C₇H₁₃NO. The systematic name of this chemical is 1-(piperidin-2-yl)ethanone. With the CAS registry number 97073-22-8, it is also named as 2-Acetylpiperidine. The product's category is Acetyl Group.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.9; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 35.61 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 14.11×10^-24 cm³; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 86.1 °C; (20)Enthalpy of Vaporization: 43.78 kJ/mol; (21)Boiling Point: 201.6 °C at 760 mmHg; (22)Vapour Pressure: 0.305 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(C)C1NCCCC1
2. InChI:InChI=1/C7H13NO/c1-6(9)7-4-2-3-5-8-7/h7-8H,2-5H2,1H3
3. InChIKey:SHTKZOSFNVMLJZ-UHFFFAOYAO
4. Std. InChI:InChI=1S/C7H13NO/c1-6(9)7-4-2-3-5-8-7/h7-8H,2-5H2,1H3
5. Std. InChIKey:SHTKZOSFNVMLJZ-UHFFFAOYSA-N

Product Name

1-PIPERIDIN-2-YL-ETHANONE

1-(2-Piperidinyl)ethanone Specification

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