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53704-10-2

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Basic Information
CAS No.: 53704-10-2
Name: 2,2'-(ethylenediimino)dibutanol dihydrochloride
Molecular Structure:
Molecular Structure of 53704-10-2 (2,2'-(ethylenediimino)dibutanol dihydrochloride)
Formula: C10H26Cl2N2O2
Molecular Weight: 277.23164
Synonyms: 2,2-(ethylenediimino)dibutanol dihydrochloride;1-Butanol, 2,2-(1,2-ethanediyldiimino)bis-, dihydrochloride;1-Butanol, 2,2-(ethylenediimino)di-, dihydrochloride (6CI);N,N-Ethylenebis(2-amino 1-butanol) dihydrochloride
EINECS: 258-707-7
Boiling Point: 345.3 °C at 760 mmHg
Flash Point: 113.7 °C
PSA: 64.52000
LogP: 1.29120
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Specification

The 2,2-(Ethylenediimino)dibutanol dihydrochloride, with the CAS registry number of 53704-10-2, is also known as 1-Butanol,2,2'-(1,2-ethanediyldiimino)is-, dihydrochloride and N,N'-Ethylenebis(2-amino 1-butanol) dihydrochloride. Its EINECS registry number is 258-707-7. This chemical's molecular formula is C10H26Cl2N2O2 and molecular weight is 277.23164. Its systematic name and IUPAC name are the same which is called 2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol dihydrochloride.

Physical properties of this chemical are: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 11; (6)Flash Point: 113.7 °C; (7)Enthalpy of Vaporization: 68.26 kJ/mol; (8)Boiling Point: 345.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.CCC(CO)NCCNC(CO)CC
(2)InChI: InChI=1/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H
(3)InChIKey: AUAHHJJRFHRVPV-UHFFFAOYAW