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2-Buten-1-amine,4-[[4-(1-pyrrolidinylmethyl)-2-pyridinyl]oxy]-, (Z)- (9CI) (118288-25-8)

Identification
Name:2-Buten-1-amine,4-[[4-(1-pyrrolidinylmethyl)-2-pyridinyl]oxy]-, (Z)- (9CI)
Synonyms:2-buten-1-amine, 4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-, (2E)-;
CAS:118288-25-8
Molecular Formula: C15H23N3O
Molecular Weight: 261.37
InChI: InChI=1/C15H23N3O/c16-7-2-5-11-19-15-12-14(6-8-17-15)13-18-9-3-1-4-10-18/h2,5-6,8,12H,1,3-4,7,9-11,13,16H2/b5-2+
Molecular Structure: (C15H23N3O) 2-buten-1-amine, 4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-, (2E)-;
Properties
Density:1.089g/cm3
Refractive index:1.564
Specification:

The 4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine, with cas registry number 118288-25-8, has the systematic name of (2E)-4-{[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy}but-2-en-1-amine. Besides this, it is also called 2-buten-1-amine, 4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-, (2E)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (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): 1.4; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 51.38 Å2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 78.05 cm3; (13)Molar Volume: 239.8 cm3; (14)Polarizability: 30.94×10-24cm3; (15)Surface Tension: 48.3 dyne/cm; (16)Enthalpy of Vaporization: 67.29 kJ/mol; (17)Vapour Pressure: 3.08E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC\C=C\COc2cc(CN1CCCCC1)ccn2
(2)InChI: InChI=1/C15H23N3O/c16-7-2-5-11-19-15-12-14(6-8-17-15)13-18-9-3-1-4-10-18/h2,5-6,8,12H,1,3-4,7,9-11,13,16H2/b5-2+
(3)InChIKey: LSWHRGCYVNXXLD-GORDUTHDBY
(4)Std. InChI: InChI=1S/C15H23N3O/c16-7-2-5-11-19-15-12-14(6-8-17-15)13-18-9-3-1-4-10-18/h2,5-6,8,12H,1,3-4,7,9-11,13,16H2/b5-2+
(5)Std. InChIKey: LSWHRGCYVNXXLD-GORDUTHDSA-N

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