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26112-92-5

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Basic Information
CAS No.: 26112-92-5
Name: BIS-(2-CHLORO-ETHYL)-(2-METHOXY-ETHYL)-AMINE
Molecular Structure:
Molecular Structure of 26112-92-5 (BIS-(2-CHLORO-ETHYL)-(2-METHOXY-ETHYL)-AMINE)
Formula: C7H15Cl2NO
Molecular Weight: 200.108
Synonyms: Triethylamine,2,2'-dichloro-2''-methoxy- (6CI,8CI);2,2'-Dichloro-2''-methoxytriethylamine;Bis(2-chloroethyl)(2-methoxyethyl)amine;
Density: 1.108 g/cm3
Boiling Point: 185.8 °C at 760 mmHg
Flash Point: 66.2 °C
PSA: 12.47000
LogP: 1.41240
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Specification

The Ethanamine,N,N-bis(2-chloroethyl)-2-methoxy-, with the CAS registry number 26112-92-5, is also known as Triethylamine,2,2'-dichloro-2''-methoxy- (6CI,8CI). This chemical's molecular formula is C7H15Cl2NO and molecular weight is 200.1061. What's more, its IUPAC name is N,N-Bis(2-chloroethyl)-2-methoxyethanamine. 

Physical properties about Ethanamine,N,N-bis(2-chloroethyl)-2-methoxy- are: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.83; (8)ACD/KOC (pH 7.4): 26.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 49.64 cm3; (15)Molar Volume: 180.4 cm3; (16)Polarizability: 19.68×10-24 cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 1.108 g/cm3; (19)Flash Point: 66.2 °C; (20)Enthalpy of Vaporization: 42.21 kJ/mol; (21)Boiling Point: 185.8 °C at 760 mmHg; (22)Vapour Pressure: 0.683 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCCN(CCCl)CCOC
(2) InChI: InChI=1/C7H15Cl2NO/c1-11-7-6-10(4-2-8)5-3-9/h2-7H2,1H3
(3) InChIKey: ILEQWUZHPNITDE-UHFFFAOYAS