1,4-Pentanediamine,N4-[2-[(1E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-N1,N1-diethyl- supplier

Name
N~4~-{2-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-4-yl}-N~1~,N~1~-diethylpentane-1,4-diamine
EINECS
CAS No. 56401-88-8
Density 1.103 g/cm³
Solubility
Melting Point
Formula C₂₂H₃₀ClN₃
Boiling Point 521.9 °C at 760 mmHg
Molecular Weight 371.9467
Flash Point 269.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 157389;1,4-Pentanediamine,N4-[2-[2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-N1,N1-diethyl-,(E)-;N4-{2-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-4-yl}-N1,N1-diethylpentane-1,4-diamine;4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-4-yl]-1-N,;Pyridine, 2-(p-chlorostyryl)-4-((4-(diethylamino)-1-methylbutyl)amino)-;4-[5-Diethylamino-2-pentylamino]-2-[4-chloro-β-trans-styryl]pyridine;
PSA
LogP

1,4-Pentanediamine,N4-[2-[(1E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-N1,N1-diethyl- Specification

The 1,4-Pentanediamine,N4-[2-[(1E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-N1,N1-diethyl-, with the CAS registry number 56401-88-8, has the systematic name of N4-{2-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-4-yl}-N1,N1-diethylpentane-1,4-diamine. And the molecular formula of the chemical is C₂₂H₃₀ClN₃.

The characteristics of 1,4-Pentanediamine,N4-[2-[(1E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-N1,N1-diethyl- are as followings: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 9.83; (7)ACD/KOC (pH 5.5): 2.99; (8)ACD/KOC (pH 7.4): 27.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 19.37 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 116.98 cm³; (15)Molar Volume: 336.9 cm³; (16)Polarizability: 46.37×10^-24cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.103 g/cm³; (19)Flash Point: 269.5 °C; (20)Enthalpy of Vaporization: 79.53 kJ/mol; (21)Boiling Point: 521.9 °C at 760 mmHg; (22)Vapour Pressure: 5.42E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2ccc(\C=C\c1nccc(c1)NC(C)CCCN(CC)CC)cc2
(2)InChI: InChI=1/C22H30ClN3/c1-4-26(5-2)16-6-7-18(3)25-22-14-15-24-21(17-22)13-10-19-8-11-20(23)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,25)/b13-10+
(3)InChIKey: FIDFDSHBKIWNIN-JLHYYAGUBZ

Product Name

N~4~-{2-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-4-yl}-N~1~,N~1~-diethylpentane-1,4-diamine

1,4-Pentanediamine,N4-[2-[(1E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-N1,N1-diethyl- Specification

Related Products

Hot Products