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CAS No.: | 6963-32-2 |
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Name: | 2,3-dibromopropylammonium bromide |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C3H8Br3N |
Molecular Weight: | 297.815 |
Synonyms: | 2,3-Dibromopropan-1-amine hydrobromide (1:1);2,3-Dibromopropan-1-aminium bromide;2,3-dibromopropylamine hydrobromide;2,3-Dibromopropylammonium bromide; |
EINECS: | 230-159-3 |
Density: | 1.999g/cm3 |
Melting Point: | 164 °C |
Boiling Point: | 224.2 °C at 760 mmHg |
Flash Point: | 89.4 °C |
PSA: | 26.02000 |
LogP: | 2.76190 |
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The 1-Propanamine,2,3-dibromo-, hydrobromide (1:1), with the CAS registry number 6963-32-2, is also known as 2,3-Dibromopropylammonium bromide. Its EINECS number is 230-159-3. The molecular formula of this chemical is C3H8Br3N and molecular weight is 297.81. What's more, its systematic name is 2,3-Dibromopropan-1-amine hydrobromide (1:1).
Physical properties of 1-Propanamine,2,3-dibromo-, hydrobromide (1:1) are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.63; (7)ACD/KOC (pH 5.5): 18.93; (8)ACD/KOC (pH 7.4): 131.8; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 89.4 °C; (14)Enthalpy of Vaporization: 46.07 kJ/mol; (15)Boiling Point: 224.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0924 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Br.BrC(CBr)CN
(2)InChI: InChI=1/C3H7Br2N.BrH/c4-1-3(5)2-6;/h3H,1-2,6H2;1H
(3)InChIKey: NQVQUJRBCVAMIL-UHFFFAOYAA