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2-Amino-3-(3-bromobenzylamino)pyridine (934537-52-7)

Identification
Name:2-Amino-3-(3-bromobenzylamino)pyridine
Synonyms:2,3-pyridinediamine, N3-[(3-bromophenyl)methyl]-;
CAS:934537-52-7
Molecular Formula: C12H12BrN3
Molecular Weight: 278.15
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)
Molecular Structure: (C12H12BrN3) 2,3-pyridinediamine, N3-[(3-bromophenyl)methyl]-;
Properties
Density:1.534 g/cm3
Refractive index:1.703
Specification:

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

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