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107346-32-7

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Basic Information
CAS No.: 107346-32-7
Name: 4-AMINO-8-BROMO-N-PROPYL-DAZINE-3-AMIDE
Molecular Structure:
Molecular Structure of 107346-32-7 (4-AMINO-8-BROMO-N-PROPYL-DAZINE-3-AMIDE)
Formula: C12H13BrN4O
Molecular Weight: 309.165
Synonyms: 4-Amino-8-bromo-N-propyl-dazine-3-amide;
Density: 1.531 g/cm3
PSA: 80.90000
LogP: 3.08640
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Specification

The 3-Cinnolinecarboxamide,4-amino-8-bromo-N-propyl-, with the CAS registry number 107346-32-7, is also known as 4-Amino-8-bromo-N-propyl-dazine-3-amide. This chemical's molecular formula is C12H13BrN4O and molecular weight is 309.16182. What's more, its systematic name is 4-Amino-8-bromo-N-propyl-cinnoline-3-carboxamide.

Physical properties about 3-Cinnolinecarboxamide,4-amino-8-bromo-N-propyl- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 80.9 Å2; (9)Index of Refraction: 1.666; (10)Molar Refractivity: 75.09 cm3; (11)Molar Volume: 201.8 cm3; (12)Polarizability: 29.76×10-24 cm3; (13)Surface Tension: 62.9 dyne/cm; (14)Density: 1.531 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCNC(=O)c1c(c2cccc(c2nn1)Br)N
(2) InChI: InChI=1/C12H13BrN4O/c1-2-6-15-12(18)11-9(14)7-4-3-5-8(13)10(7)16-17-11/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,18)
(3) InChIKey: GPJGJCJYUOVPPW-UHFFFAOYAU