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42965-91-3

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Basic Information
CAS No.: 42965-91-3
Name: N-benzyl-N'-[3-(trimethoxysilyl)propyl]ethylenediamine monohydrochloride
Molecular Structure:
Molecular Structure of 42965-91-3 (N-benzyl-N'-[3-(trimethoxysilyl)propyl]ethylenediamine monohydrochloride)
Formula: C15H28N2O3Si.HCl
Molecular Weight: 348.94
Synonyms: 1,2-Ethanediamine,N-(phenylmethyl)-N'-[3-(trimethoxysilyl)propyl]-, monohydrochloride (9CI);Dynasylan 1161;KBM 6123;
EINECS: 256-023-3
Boiling Point: 368.7 °C at 760 mmHg
Flash Point: 176.8 °C
PSA: 51.75000
LogP: 3.21780
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  • N-benzyl-N'-[3-(trimethoxysilyl)propyl]ethylenediamine monohydrochloride CAS NO.: 42965-91-3

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Specification

The N-Benzyl-N'-[3-(trimethoxysilyl)propyl]ethylenediamine monohydrochloride, with the CAS registry number 42965-91-3, is also known as 1,2-Ethanediamine, N-(phenylmethyl)-N'-(3-(trimethoxysilyl)propyl)-, monohydrochloride. Its EINECS number is 256-023-3. This chemical's molecular formula is C15H28N2O3Si.HCl and molecular weight is 348.94. What's more, its systematic name is N-Benzyl-N'-[3-(trimethoxysilyl)propyl]-1,2-ethanediamine hydrochloride (1:1). 

Physical properties of N-Benzyl-N'-[3-(trimethoxysilyl)propyl]ethylenediamine monohydrochloride are: (1)ACD/LogP: 1.505; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.07; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 34.17 Å2; (13)Flash Point: 176.8 °C; (14)Enthalpy of Vaporization: 61.54 kJ/mol; (15)Boiling Point: 368.7 °C at 760 mmHg; (16)Vapour Pressure: 1.25E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(C)[Si](OC)(OC)CCCNCCNCc1ccccc1
(2)Std. InChI: InChI=1S/C15H28N2O3Si.ClH/c1-18-21(19-2,20-3)13-7-10-16-11-12-17-14-15-8-5-4-6-9-15;/h4-6,8-9,16-17H,7,10-14H2,1-3H3;1H
(3)Std. InChIKey: HOSQZKZVJBFALN-UHFFFAOYSA-N