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5-Quinolinamine,8-bromo- (116632-58-7)

Identification
Name:5-Quinolinamine,8-bromo-
Synonyms:5-Amino-8-bromoquinoline;8-Bromoquinolin-5-amine;
CAS:116632-58-7
Molecular Formula: C9H7BrN2
Molecular Weight: 223.10
InChI: InChI=1/C9H7BrN2/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H,11H2
Molecular Structure: (C9H7BrN2) 5-Amino-8-bromoquinoline;8-Bromoquinolin-5-amine;
Properties
Density:1.649 g/cm3
Refractive index:1.732
Specification:

The 5-Amino-8-bromoquinoline with the CAS number 116632-58-7 is also called 5-Quinolinamine,8-bromo-. The systematic name is 8-bromoquinolin-5-amine. Its molecular formula is C9H7BrN2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-Amino-8-bromoquinoline are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.57; (6)ACD/BCF (pH 7.4): 20.62; (7)ACD/KOC (pH 5.5): 302.85; (8)ACD/KOC (pH 7.4): 303.64; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 54.11 cm3; (15)Molar Volume: 135.2 cm3; (16)Polarizability: 21.45×10-24cm3; (17)Surface Tension: 63.3 dyne/cm; (18)Enthalpy of Vaporization: 59.83 kJ/mol; (19)Vapour Pressure: 3.61×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(N)c2cccnc12
(2)InChI: InChI=1/C9H7BrN2/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H,11H2
(3)InChIKey: UNFYSPONYGTMNH-UHFFFAOYAM

Safety Data