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56-22-4

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Basic Information
CAS No.: 56-22-4
Name: TE 393
Article Data: 2
Molecular Structure:
Molecular Structure of 56-22-4 (TE 393)
Formula: C15H36N4
Molecular Weight: 272.478
Synonyms: 1,9-Nonanediamine,N,N'-bis(3-aminopropyl)- (7CI,9CI);N,N'-Bis(3-aminopropyl)nonane-1,9-diamine;TE 393;
Density: 0.904 g/cm3
Boiling Point: 365.1 °C at 760 mmHg
Flash Point: 205.6 °C
PSA: 76.10000
LogP: 3.77630
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  • 1,9-Nonanediamine,N1,N9-bis(3-aminopropyl)-

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    1,9-Nonanediamine,N1,N9-bis(3-aminopropyl)-

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Specification

The 1,9-Nonanediamine,N1,N9-bis(3-aminopropyl)-, with the CAS registry number 56-22-4, is also known as TE 393. This chemical's molecular formula is C15H36N4 and molecular weight is 272.477. What's more, both its IUPAC name and systematic name are the same which is called N,N'-Bis(3-aminopropyl)nonane-1,9-diamine.

Physical properties about 1,9-Nonanediamine,N1,N9-bis(3-aminopropyl)- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.7; (4)ACD/LogD (pH 7.4): -4.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4 ; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 12.96 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 85.8 cm3; (15)Molar Volume: 301.1 cm3; (16)Surface Tension: 37 dyne/cm; (17)Density: 0.904 g/cm3; (18)Flash Point: 205.6 °C; (19)Enthalpy of Vaporization: 61.14 kJ/mol; (20)Boiling Point: 365.1 °C at 760 mmHg; (21)Vapour Pressure: 1.6E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCCCNCCCCCCCCCNCCCN
(2) InChI: InChI=1/C15H36N4/c16-10-8-14-18-12-6-4-2-1-3-5-7-13-19-15-9-11-17/h18-19H,1-17H2
(3) InChIKey: JTXGXJZZAIHSKO-UHFFFAOYAR