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| CAS No.: | 2037-48-1 |
|---|---|
| Name: | 2-DEOXYSTREPTAMINE, DIHYDROBROMIDE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H14N2O3 |
| Molecular Weight: | 162.189 |
| Synonyms: | 1,2,3-Cyclohexanetriol,4,6-diamino- (6CI);Streptamine, deoxy- (7CI);2-Deoxy-D-streptamine;2-Deoxystreptamine;2-Desoxystreptamine;Deoxystreptamine;NSC 156938; |
| Density: | 1.44g/cm3 |
| Melting Point: | 273-278°C |
| Boiling Point: | 310.1°Cat760mmHg |
| Flash Point: | 141.3°C |
| PSA: | 112.73000 |
| LogP: | 0.44420 |
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- Total:10 Page 1 of 1 1
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Specification
The 2-Deoxystreptamine dihydrobromide with the cas number 2037-48-1, is also called (1R,2r,3S,4R,6S)-4,6-diaminocyclohexane-1,2,3-triol. Its molecular formula is C6H14N2O3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: -2.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6; (4)ACD/LogD (pH 7.4): -5; (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: 5; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 112.73Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 39.548 cm3; (15)Molar Volume: 112.557 cm3; (16)Polarizability: 15.678×10-24cm3; (17)Surface Tension: 65.44 dyne/cm; (18)Enthalpy of Vaporization: 63.879 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1O
(2)InChI: InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-