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CAS No.: | 199522-78-6 |
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Name: | 2-N-(4-AMINOBUTYL)-AMINO-5-BROMOPYRIDINE |
Molecular Structure: | |
Formula: | C9H14BrN3 |
Molecular Weight: | 244.134 |
Synonyms: | 1,4-Butanediamine,N-(5-bromo-2-pyridinyl)- (9CI);N'-(5-Bromopyridin-2-yl)butane-1,4-diamine;2-N-(4-Aminobutyl)-amino-5-bromopyridine; |
Density: | 1.424 g/cm3 |
Boiling Point: | 356.801 °C at 760 mmHg |
Flash Point: | 169.588 °C |
PSA: | 50.94000 |
LogP: | 2.76820 |
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The 1,4-Butanediamine,N1-(5-bromo-2-pyridinyl)- is an organic compound with the formula C9H14BrN3. The IUPAC name of this chemical is N'-(5-Bromopyridin-2-yl)butane-1,4-diamine. With the CAS registry number 199522-78-6, it is also named as 2-N-(4-Aminobutyl)-amino-5-bromopyridine. Besides, its molecular weight is 244.13.
The physical properties of 1,4-Butanediamine,N1-(5-bromo-2-pyridinyl)- are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 50.94 Å2; (11)Index of Refraction: 1.605; (12)Molar Refractivity: 59.078 cm3; (13)Molar Volume: 171.496 cm3; (14)Polarizability: 23.42×10-24 cm3; (15)Surface Tension: 51.401 dyne/cm; (16)Density: 1.424 g/cm3; (17)Flash Point: 169.588 °C; (18)Enthalpy of Vaporization: 60.21 kJ/mol; (19)Boiling Point: 356.801 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ncc1Br)NCCCCN
(2)InChI: InChI=1/C9H14BrN3/c10-8-3-4-9(13-7-8)12-6-2-1-5-11/h3-4,7H,1-2,5-6,11H2,(H,12,13)
(3)InChIKey: VKFSFYVDNIXBMQ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H14BrN3/c10-8-3-4-9(13-7-8)12-6-2-1-5-11/h3-4,7H,1-2,5-6,11H2,(H,12,13)
(5)Std. InChIKey: VKFSFYVDNIXBMQ-UHFFFAOYSA-N