4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine supplier

Name
4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine
EINECS
CAS No. 118288-25-8
Density 1.089g/cm³
Solubility
Melting Point
Formula C₁₅H₂₃N₃O
Boiling Point 419.3 °C at 760 mmHg
Molecular Weight 261.37
Flash Point 207.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-buten-1-amine, 4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-, (2E)-;
PSA 51.38000
LogP 2.59940

4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine 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

Product Name

4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine

4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine Specification

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