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5-Amino-8-bromoquinoline

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Name

5-Amino-8-bromoquinoline

EINECS N/A
CAS No. 116632-58-7 Density 1.649 g/cm3
PSA 38.91000 LogP 3.16070
Solubility N/A Melting Point N/A
Formula C9H7BrN2 Boiling Point 353.3 °C at 760 mmHg
Molecular Weight 223.072 Flash Point 167.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 116632-58-7 (8-BROMOQUINOLIN-5-AMINE) Hazard Symbols N/A
Synonyms

5-Amino-8-bromoquinoline;8-Bromoquinolin-5-amine;

 

5-Amino-8-bromoquinoline 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

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