Basic information
- Name:
2-Buten-1-amine,4-[[4-(1-pyrrolidinylmethyl)-2-pyridinyl]oxy]-, (Z)- (9CI)
- Superlist Name:
- 4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine
- CAS No.:
118288-25-8
- Molecular Structure:
![Molecular Structure of 118288-25-8 (2-Buten-1-amine,4-[[4-(1-pyrrolidinylmethyl)-2-pyridinyl]oxy]-, (Z)- (9CI))](http://www.lookchem.com/300w/2010/073/118288-25-8.jpg)
- Formula:
- C15H23N3O
- Molecular Weight:
- 261.37
- Synonyms:
- 2-buten-1-amine, 4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-, (2E)-;
- Density:
- 1.089g/cm3
- Boiling Point:
- 419.3 °C at 760 mmHg
- Flash Point:
- 207.4 °C
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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
