Basic information
- Name:
Ethanamine,N-ethoxy-N-ethyl-, hydrochloride (1:1)
- Superlist Name:
- N,N-Diethylethanolammonium chloride
- CAS No.:
13989-32-7
- Molecular Structure:
- Formula:
- C6H16ClNO
- Molecular Weight:
- 151.64
- Synonyms:
- Diethylamine,N-ethoxy-, hydrochloride (8CI);Ethanamine, N-ethoxy-N-ethyl-, hydrochloride(9CI);Hydroxylamine, triethyl-, hydrochloride;
- EINECS:
- 238-395-9
- Boiling Point:
- 164.8 °C at 760 mmHg
- Flash Point:
- 48.9 °C
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Specification
The N,N-Diethylethanolammonium chloride, with CAS registry number 13989-32-7, has the systematic name of 2-(diethylamino)ethanol hydrochloride (1:1). Besides this, it is also called ethanol, 2-(diethylamino)-, hydrochloride (1:1). And the chemical formula of this chemical is C6H16ClNO.
Physical properties of N,N-Diethylethanolammonium chloride: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.34; (4)ACD/LogD (pH 7.4): -1.57; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Flash Point: 48.9 °C; (14)Enthalpy of Vaporization: 46.73 kJ/mol; (15)Boiling Point: 164.8 °C at 760 mmHg; (16)Vapour Pressure: 0.651 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OCCN(CC)CC
(2)InChI: InChI=1/C6H15NO.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H
(3)InChIKey: DBQUKJMNGUJRFI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H15NO.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H
(5)Std. InChIKey: DBQUKJMNGUJRFI-UHFFFAOYSA-N