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CAS No.: | 934537-52-7 |
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Name: | 2-AMINO-3-(3-BROMOBENZYLAMINO)-PYRIDINE |
Molecular Structure: | |
Formula: | C12H12BrN3 |
Molecular Weight: | 278.151 |
Synonyms: | 2,3-pyridinediamine, N3-[(3-bromophenyl)methyl]-; |
EINECS: | 200-258-5 |
Density: | 1.534 g/cm3 |
Boiling Point: | 429.3 °C at 760 mmHg |
Flash Point: | 213.4 °C |
PSA: | 50.94000 |
LogP: | 3.69260 |
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The CAS register number of 2-Amino-3-(3-bromobenzylamino)pyridine is 934537-52-7. It also can be called as 2,3-pyridinediamine, N3-[(3-bromophenyl)methyl]- and the IUPAC name about this chemical is 3-N-[(3-bromophenyl)methyl]pyridine-2,3-diamine. The molecular formula about this chemical is C12H12BrN3 and molecular weight is 278.15.
Physical properties about 2-Amino-3-(3-bromobenzylamino)pyridine are: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 2.08; (4)ACD/BCF (pH 5.5): 1.8; (5)ACD/BCF (pH 7.4): 21.74; (6)ACD/KOC (pH 5.5): 24.89; (7)ACD/KOC (pH 7.4): 301.35; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 19.37Å2; (12)Index of Refraction: 1.703; (13)Molar Refractivity: 70.36 cm3; (14)Molar Volume: 181.2 cm3; (15)Polarizability: 27.89x10-24cm3; (16)Surface Tension: 62 dyne/cm; (17)Enthalpy of Vaporization: 68.45 kJ/mol; (18)Boiling Point: 429.3 °C at 760 mmHg; (19)Vapour Pressure: 1.42E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(c1)CNc2cccnc2N
(2)InChI: InChI=1/C12H12BrN3/c13-10-4-1-3-9(7-10)8-16-11-5-2-6-15-12(11)14/h1-7,16H,8H2,(H2,14,15)
(3)InChIKey: LGGVQNRLJWKCOF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H12BrN3/c13-10-4-1-3-9(7-10)8-16-11-5-2-6-15-12(11)14/h1-7,16H,8H2,(H2,14,15)
(5)Std. InChIKey: LGGVQNRLJWKCOF-UHFFFAOYSA-N