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76025-62-2

Basic Information
CAS No.: 76025-62-2
Name: 4-Piperidineethanamine
Molecular Structure:
Molecular Structure of 76025-62-2 (4-Piperidineethanamine)
Formula: C7H16N2
Molecular Weight: 128.217
Synonyms: Piperidine,4-(2-aminoethyl)- (7CI);4-(2-Aminoethyl)piperidine;4-(Aminoethyl)piperidine;
Density: 0.892 g/cm3
Boiling Point: 198.6 °C at 760 mmHg
Flash Point: 82.7 °C
PSA: 38.05000
LogP: 1.36390
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Specification

The 4-Piperidineethanamine is an organic compound with the formula C7H16N2. With the CAS registry number 76025-62-2, the systematic name of this chemical is 2-(piperidin-4-yl)ethanamine.

Physical properties about 4-Piperidineethanamine are: (1)ACD/LogD (pH 5.5): -4.1; (2)ACD/LogD (pH 7.4): -4.08; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 6.48 Å2; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 39.26 cm3; (13)Molar Volume: 143.7 cm3; (14)Polarizability: 15.56×10-24cm3; (15)Surface Tension: 33.6 dyne/cm; (16)Density: 0.892 g/cm3; (17)Flash Point: 82.7 °C; (18)Enthalpy of Vaporization: 43.48 kJ/mol; (19)Boiling Point: 198.6 °C at 760 mmHg; (20)Vapour Pressure: 0.356 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCC1CCNCC1
(2)InChI: InChI=1/C7H16N2/c8-4-1-7-2-5-9-6-3-7/h7,9H,1-6,8H2
(3)InChIKey: PXJBCMWIAPDWAU-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H16N2/c8-4-1-7-2-5-9-6-3-7/h7,9H,1-6,8H2
(5)Std. InChIKey: PXJBCMWIAPDWAU-UHFFFAOYSA-N