Ethanone, 1-(4-piperidinyl)- supplier

Name
Ethanone, 1-(4-piperidinyl)- (9CI)
EINECS
CAS No. 30818-11-2
Article Data6
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 Ketone, methyl 4-piperidyl (7CI,8CI);4-Acetylpiperidine;Methyl 4-piperidyl ketone;1-piperidin-4-ylethanone;
PSA 29.10000
LogP 0.90380

Ethanone, 1-(4-piperidinyl)- Specification

The Ethanone, 1-(4-piperidinyl)-, with the CAS registry number 30818-11-2, has the systematic name of 1-piperidin-4-ylethanone. It belongs to the product category of Acetyl Group. And the molecular formula of the chemical is C₇H₁₃NO.

The characteristics of Ethanone, 1-(4-piperidinyl)- are as followings: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.05; (4)ACD/LogD (pH 7.4): -2.64; (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^-24cm³; (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.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(C)C1CCNCC1
(2)InChI: InChI=1/C7H13NO/c1-6(9)7-2-4-8-5-3-7/h7-8H,2-5H2,1H3
(3)InChIKey: STNLQJRBZHAGSO-UHFFFAOYAT

Product Name

Ethanone, 1-(4-piperidinyl)- (9CI)

Ethanone, 1-(4-piperidinyl)- Specification

Related Products

Hot Products