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71076-95-4

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Basic Information
CAS No.: 71076-95-4
Name: Amines, N,N-bis(3-aminopropyl)-C36-alkylenedi-
Molecular Structure:
Molecular Structure of 71076-95-4 (Amines, N,N-bis(3-aminopropyl)-C36-alkylenedi-)
Formula: C42H90N4
Molecular Weight: 651.1908
Synonyms: N,N'-bis(3-aminopropyl)hexatriacontane-1,36-diamine;Amines, N,N'-bis(3-aminopropyl)-C36-alkylenedi-;
Density: 0.871 g/cm3
Boiling Point: 715.5 °C at 760 mmHg
Flash Point: 464 °C
PSA: 76.10000
LogP: 14.30900
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    The Amines,N,N'-bis(3-aminopropyl)-C36-alkylenedi-, with cas registry number of 71076-95-4, has the systematic name and IUPAC name of N,N'-bis(3-aminopropyl)hexatriacontane-1,36-diamine. And the molecular formula of the chemical is C42H90N4

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Specification

The Amines,N,N'-bis(3-aminopropyl)-C36-alkylenedi-, with cas registry number of 71076-95-4, has the systematic name and IUPAC name of N,N'-bis(3-aminopropyl)hexatriacontane-1,36-diamine. And the molecular formula of the chemical is C42H90N4.

The characteristics of Amines,N,N'-bis(3-aminopropyl)-C36-alkylenedi- are as followings: (1)ACD/LogP: 15.74; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 9.64; (4)ACD/LogD (pH 7.4): 9.92; (5)ACD/BCF (pH 5.5): 431213.81; (6)ACD/BCF (pH 7.4): 809520.63; (7)ACD/KOC (pH 5.5): 6956.87; (8)ACD/KOC (pH 7.4): 13060.19; (9)#H bond acceptors: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 45; (12)Polar Surface Area: 12.96 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 210.88 cm3; (15)Molar Volume: 746.8 cm3; (16)Polarizability: 83.6×10-24cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 0.871 g/cm3; (19)Flash Point: 464 °C; (20)Enthalpy of Vaporization: 104.57 kJ/mol; (21)Boiling Point: 715.5 °C at 760 mmHg; (22)Vapour Pressure: 2.55E-20 mmHg at 25°C.    

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCCCNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNCCCN
(2)InChI: InChI=1/C42H90N4/c43-37-35-41-45-39-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-46-42-36-38-44/h45-46H,1-44H2
(3)InChIKey: OFFBTFONFHSIGA-UHFFFAOYAJ