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22261-94-5

Basic Information
CAS No.: 22261-94-5
Name: N-(1-METHYLPIPERIDIN-4-YL)ANILINE
Article Data: 16
Molecular Structure:
Molecular Structure of 22261-94-5 (N-(1-METHYLPIPERIDIN-4-YL)ANILINE)
Formula: C12H18N2
Molecular Weight: 190.288
Synonyms: Piperidine, 4-anilino-1-methyl- (8CI);1-Methyl-4-anilinopiperidine;1-Methyl-N-phenylpiperidin-4-amine;4-Anilino-1-methylpiperidine;
EINECS: 244-882-7
Density: 1.042g/cm3
Melting Point: 82-86°C
Boiling Point: 302.4 °C at 760 mmHg
Flash Point: 128.7 °C
PSA: 15.27000
LogP: 2.20360
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Specification

The 4-Piperidinamine,1-methyl-N-phenyl-, with CAS registry number 22261-94-5, has the systematic name of 1-methyl-N-phenylpiperidin-4-amine. Besides this, it is also called N-(1-methylpiperidin-4-yl)aniline. And the chemical formula of this chemical is C12H18N2. What's more, its EINECS is 244-882-7.

Physical properties of 4-Piperidinamine,1-methyl-N-phenyl-: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): 0.33; (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): 6.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 60.55 cm3; (15)Molar Volume: 182.4 cm3; (16)Polarizability: 24×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.042 g/cm3; (19)Flash Point: 128.7 °C; (20)Enthalpy of Vaporization: 54.26 kJ/mol; (21)Boiling Point: 302.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000994 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c2(NC1CCN(C)CC1)ccccc2
(2)InChI: InChI=1/C12H18N2/c1-14-9-7-12(8-10-14)13-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
(3)InChIKey: GXJSWUKLJQHQFZ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H18N2/c1-14-9-7-12(8-10-14)13-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
(5)Std. InChIKey: GXJSWUKLJQHQFZ-UHFFFAOYSA-N