CAS No.76444-51-4,4-BROMO-N-METHYL PIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76444-51-4
Name:	4-BROMO-N-METHYL PIPERIDINE
Article Data:	1

Formula:	C₆H₁₂BrN
Molecular Weight:	178.072
Synonyms:	4-Bromo-N-methylpiperidine;
EINECS:	632-597-4
Density:	1.35 g/cm³
Boiling Point:	174.768 °C at 760 mmHg
Flash Point:	59.498 °C

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Specification

This chemical is called Piperidine,4-bromo-1-methyl-, and its systematic name is 4-bromo-1-methylpiperidine. With the molecular formula of C₆H₁₂BrN, its molecular weight is 178.07. The CAS registry number of the chemical is 76444-51-4.

Other characteristics of Piperidine,4-bromo-1-methyl- can be summarised as followings: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 45; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 39.119 cm³; (14)Molar Volume: 131.87 cm³; (15)Polarizability: 15.508×10^-24cm³; (16)Surface Tension: 33.742 dyne/cm; (17)Density: 1.35 g/cm³; (18)Flash Point: 59.498 °C; (19)Enthalpy of Vaporization: 41.11 kJ/mol; (20)Boiling Point: 174.768 °C at 760 mmHg; (21)Vapour Pressure: 1.187 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CN1CCC(CC1)Br
2.InChI: InChI=1/C6H12BrN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
3.InChIKey: RTEVQEDKZPFGNP-UHFFFAOYAE
4.Std. InChI: InChI=1S/C6H12BrN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
5.Std. InChIKey: RTEVQEDKZPFGNP-UHFFFAOYSA-N