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4-Quinolinamine,7-bromo- (65340-74-1)

Identification
Name:4-Quinolinamine,7-bromo-
Synonyms:4-Amino-7-bromoquinoline,;7-bromoquinolin-4-amine;4-quinolinamine, 7-bromo-;
CAS:65340-74-1
Molecular Formula: C9H7BrN2
Molecular Weight: 223.07
InChI: InChI=1/C9H7BrN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
Molecular Structure: (C9H7BrN2) 4-Amino-7-bromoquinoline,;7-bromoquinolin-4-amine;4-quinolinamine, 7-bromo-;
Properties
Density:1.649 g/cm3
Refractive index:1.732
Specification:

The 4-Amino-7-bromoquinoline, with the CAS registry number 65340-74-1, has the systematic name and IUPAC name of 7-bromoquinolin-4-amine. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C9H7BrN2.

The characteristics of 4-Amino-7-bromoquinoline are as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 19.92; (7)ACD/KOC (pH 5.5): 6.97; (8)ACD/KOC (pH 7.4): 236.41; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 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)Density: 1.649 g/cm3; (19)Flash Point: 188.9 °C; (20)Enthalpy of Vaporization: 63.79 kJ/mol; (21)Boiling Point: 388.7 °C at 760 mmHg; (22)Vapour Pressure: 3.01E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc2nccc(c2cc1)N
(2)InChI: InChI=1/C9H7BrN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
(3)InChIKey: CDROXEYPGVJRGK-UHFFFAOYAK

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