CAS No.4593-16-2,1-ACETYL-3-METHYLPIPERIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4593-16-2
Name:	1-ACETYL-3-METHYLPIPERIDINE
Article Data:	5

Formula:	C₈H₁₅NO
Molecular Weight:	141.213
Synonyms:	3-Pipecoline,1-acetyl- (7CI,8CI);Piperidine, 1-acetyl-3-methyl- (9CI);1-Acetyl-3-methylpiperidine;
EINECS:	224-983-2
Density:	0.949 g/cm³
Melting Point:	-15 °C
Boiling Point:	239.2 °C at 760 mmHg
Flash Point:	106.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	20.31000
LogP:	1.20270

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Specification

The Ethanone,1-(3-methyl-1-piperidinyl)-, with the CAS registry number 4593-16-2, is also known as 1-Acetyl-3-methylpiperidine. It belongs to the product categories of API Intermediates; Building Blocks; Heterocyclic Building Blocks; Piperidines. Its EINECS registry number is 224-983-2. This chemical's molecular formula is C₈H₁₅NO and molecular weight is 141.21. What's more, its IUPAC name and systematic name are the same which is called 1-(3-Methylpiperidin-1-yl)ethanone. Additionally, it should be preserved hermetically and put in a cool, dry place.

Physical properties about Ethanone,1-(3-methyl-1-piperidinyl)-: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110.17; (8)ACD/KOC (pH 7.4): 110.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 40.53 cm³; (15)Molar Volume: 148.7 cm³; (16)Surface Tension: 30.7 dyne/cm; (17)Density: 0.949 g/cm³; (18)Flash Point: 106.7 °C; (19)Enthalpy of Vaporization: 47.61 kJ/mol; (20)Boiling Point: 239.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0406 mmHg at 25 °C; (22)Melting point: -15 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it’s harmful to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1CCCC(C)C1)C
(2) InChI: InChI=1/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3
(3) InChIKey: XKFPNHDGLSYZRC-UHFFFAOYAM