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135411-13-1

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Basic Information
CAS No.: 135411-13-1
Name: 3-[[6-CHLORO-3-PYRIDINOYL METHYL]METHYLAMINO]-2-BUTENENITRILE
Molecular Structure:
Molecular Structure of 135411-13-1 (3-[[6-CHLORO-3-PYRIDINOYL METHYL]METHYLAMINO]-2-BUTENENITRILE)
Formula: C11H12ClN3
Molecular Weight: 221.6861
Synonyms: 3-(N-((6-CHLOROPYRIDIN-3-YL)METHYL)-N-METHYLAMINO)BUT-2-ENENITRILE;3[[(6-CHLORO-3-PYRIDINOYL METHYL]METHYLAMINO]-2-BUTERENITRILE;3-[[6-CHLORO-3-PYRIDINOYL METHYL]METHYLAMINO]-2-BUTENENITRILE;3[[(6-CHLORO-3-PYRIDINYL METHYL]METHYLAMINO]-2-BUTERENITRILE
Density: 1.182 g/cm3
Boiling Point: 456.6 °C at 760 mmHg
Flash Point: 229.9 °C
PSA: 39.92000
LogP: 2.59418
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    3[[(6-CHLORO-3-PYRIDINOYL METHYL]METHYLAMINO]-2-BUTERENITRILEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 2-Butenenitrile,3-[[(6-chloro-3-pyridinyl)methyl]methylamino]- is an organic compound with the formula C11H12ClN3. The IUPAC name of this chemical is (E)-3-[(6-chloro-3-pyridyl)methyl-methyl-amino]but-2-enenitrile. With the CAS registry number 135411-13-1, it is also named as 3[[(6-Chloro-3-pyridinoyl methyl]methylamino]-2-buterenitrile.

Physical properties about 2-Butenenitrile,3-[[(6-chloro-3-pyridinyl)methyl]methylamino]- are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 2.22; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.92 Å2; (7)Index of Refraction: 1.562; (8)Molar Refractivity: 60.85 cm3; (9)Molar Volume: 187.5 cm3; (10)Polarizability: 24.12×10-24cm3; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.182 g/cm3; (13)Flash Point: 229.9 °C; (14)Enthalpy of Vaporization: 71.66 kJ/mol; (15)Boiling Point: 456.6 °C at 760 mmHg; (16)Vapour Pressure: 1.6E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(CN(C)C(\C)=C\C#N)cn1
(2)InChI: InChI=1/C11H12ClN3/c1-9(5-6-13)15(2)8-10-3-4-11(12)14-7-10/h3-5,7H,8H2,1-2H3/b9-5+ CopyCopied
(3)InChIKey: XTRWFHLAFNCDLJ-WEVVVXLNBD
(4)Std. InChI: InChI=1S/C11H12ClN3/c1-9(5-6-13)15(2)8-10-3-4-11(12)14-7-10/h3-5,7H,8H2,1-2H3/b9-5+
(5)Std. InChIKey: XTRWFHLAFNCDLJ-WEVVVXLNSA-N