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72807-18-2

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Basic Information
CAS No.: 72807-18-2
Name: 1-(1H-Indol-3-ylmethyl)piperidin-4-amine
Article Data: 2
Molecular Structure:
Molecular Structure of 72807-18-2 (1-(1H-Indol-3-ylmethyl)piperidin-4-amine)
Formula: C14H19N3
Molecular Weight: 229.325
Synonyms: 1-(1H-Indol-3-ylmethyl)piperidin-4-amine;1-(1H-indol-3-ylmethyl)piperidin-4-amine dihydrochloride;
Density: 1.171 g/cm3
Boiling Point: 397.9 °C at 760 mmHg
Flash Point: 194.4 °C
PSA: 45.05000
LogP: 2.72920
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Specification

The CAS register number of 1-(1H-Indol-3-ylmethyl)piperidin-4-amine is 72807-18-2. It also can be called as 4-Piperidinamine,1-(1H-indol-3-ylmethyl)- and the systematic name about this chemical is 1-(1H-indol-3-ylmethyl)piperidin-4-amine. The molecular formula about this chemical is C14H19N3 and molecular weight is 229.33.

Physical properties about 1-(1H-Indol-3-ylmethyl)piperidin-4-amine are: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): -2.63; (3)ACD/LogD (pH 7.4): -1.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 11.41Å2; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 71.62 cm3; (14)Molar Volume: 195.8 cm3; (15)Polarizability: 28.39x10-24cm3; (16)Surface Tension: 55.6 dyne/cm; (17)Enthalpy of Vaporization: 64.84 kJ/mol; (18)Boiling Point: 397.9 °C at 760 mmHg; (19)Vapour Pressure: 1.53E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c2c(c1ccccc1n2)CN3CCC(N)CC3
(2)InChI: InChI=1/C14H19N3/c15-12-5-7-17(8-6-12)10-11-9-16-14-4-2-1-3-13(11)14/h1-4,9,12,16H,5-8,10,15H2
(3)InChIKey: VKEURNDOWDDXJE-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H19N3/c15-12-5-7-17(8-6-12)10-11-9-16-14-4-2-1-3-13(11)14/h1-4,9,12,16H,5-8,10,15H2
(5)Std. InChIKey: VKEURNDOWDDXJE-UHFFFAOYSA-N