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13901-38-7

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Basic Information
CAS No.: 13901-38-7
Name: 3-(2-ethylpiperidin-1-yl)propan-1-amine
Article Data: 2
Molecular Structure:
Molecular Structure of 13901-38-7 (3-(2-ethylpiperidin-1-yl)propan-1-amine)
Formula: C10H22N2
Molecular Weight: 170.30
Synonyms: N-(3-Aminopropyl)-2-ethylpiperidine;3-(2-Ethylpiperidin-1-yl)propan-1-amine;3-(2-Ethyl-piperidin-1-yl)-propylamine;
Density: 0.883 g/cm3
Boiling Point: 233 °C at 760 mmHg
Flash Point: 91.2 °C
PSA: 29.26000
LogP: 2.23790
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Specification

The 1-Piperidinepropanamine, 2-ethyl-, with the CAS registry number 13901-38-7, is also known as N-(3-Aminopropyl)-2-ethylpiperidine. The molecular formula of this chemical is C10H22N2 and molecular weight is 170.30. What's more, its systematic name is 3-(2-Ethylpiperidin-1-yl)propan-1-amine.

Physical properties of 1-Piperidinepropanamine, 2-ethyl- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.16; (4)ACD/LogD (pH 7.4): -1.65; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 53.44 cm3; (15)Molar Volume: 192.8 cm3; (16)Polarizability: 21.18×10-24 cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.883 g/cm3; (19)Flash Point: 91.2 °C; (20)Enthalpy of Vaporization: 46.97 kJ/mol; (21)Boiling Point: 233 °C at 760 mmHg; (22)Vapour Pressure: 0.0571 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1CCCCN1CCCN
(2)InChI: InChI=1S/C10H22N2/c1-2-10-6-3-4-8-12(10)9-5-7-11/h10H,2-9,11H2,1H3
(3)InChIKey: BVQNBPJFOANOTF-UHFFFAOYSA-N