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CAS No.: | 43204-63-3 |
---|---|
Name: | Bis(2-bromoethyl)ammonium bromide |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C4H9Br2N.HBr |
Molecular Weight: | 311.842 |
Synonyms: | 2-Bromo-N-(2-bromoethyl)ethanaminium bromide;ethanamine, 2-bromo-N-(2-bromoethyl)-, hydrobromide (1:1); |
EINECS: | 256-142-0 |
Density: | 1.779g/cm3 |
Melting Point: | 203-205℃ |
Boiling Point: | 239.4°C at 760mmHg |
Flash Point: | 98.6°C |
PSA: | 12.03000 |
LogP: | 2.71480 |
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The Bis(2-bromoethyl)amine hydrobromide, with CAS registry number 43204-63-3, has the systematic name of 2-bromo-N-(2-bromoethyl)ethanamine hydrobromide (1:1). And it is also named ethanamine, 2-bromo-N-(2-bromoethyl)-, hydrobromide (1:1). And its melting point is 203-205℃.
Physical properties about this chemical are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 3; (7)ACD/KOC (pH 7.4): 99; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.03 Å2; (12)Flash Point: 120.5 °C; (13)Enthalpy of Vaporization: 53.07 kJ/mol; (14)Boiling Point: 275.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00332 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Br.BrCCNCCBr
(2)InChI: InChI=1/C4H9Br2N.BrH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
(3)InChIKey: YHHKEXPNBPDPOW-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C4H9Br2N.BrH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
(5)Std. InChIKey: YHHKEXPNBPDPOW-UHFFFAOYSA-N