6-Bromoquinazolin-2-ylamine supplier

Name
6-BROMO-2-QUINAZOLINAMINE
EINECS 205-525-8
CAS No. 190273-89-3
Article Data22
CAS DataBase
Density 1.744 g/cm³
Solubility
Melting Point
Formula C₈H₆BrN₃
Boiling Point 425.339 °C at 760 mmHg
Molecular Weight 224.06
Flash Point 211.038 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-6-bromoquinazoline;6-Bromoquinazolin-2-amine;
PSA 51.80000
LogP 2.55570

6-Bromoquinazolin-2-ylamine Specification

The IUPAC name of 6-Bromoquinazolin-2-ylamine is 6-bromoquinazolin-2-amine. With the CAS registry number 190273-89-3, it is also named as 2-Amino-6-bromoquinazoline. The product's category is API Intermediates. In addition, its molecular formula is C₈H₆BrN₃ and molecular weight is 224.06.

The other characteristics of 6-Bromoquinazolin-2-ylamine can be summarized as: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.173; (4)ACD/LogD (pH 7.4): 2.278; (5)ACD/BCF (pH 5.5): 24.863; (6)ACD/BCF (pH 7.4): 31.664; (7)ACD/KOC (pH 5.5): 323.796; (8)ACD/KOC (pH 7.4): 412.373; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å²; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 52.204 cm³; (15)Molar Volume: 128.462 cm³; (16)Polarizability: 20.695×10^-24cm³; (17)Surface Tension: 73.184 dyne/cm; (18)Density: 1.744 g/cm³; (19)Flash Point: 211.038 °C; (20)Enthalpy of Vaporization: 67.997 kJ/mol; (21)Boiling Point: 425.339 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc2c(cc1Br)cnc(n2)N
(2)InChI: InChI=1/C8H6BrN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H,(H2,10,11,12)
(3)InChIKey: IJXKEDDKGGBSBX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H6BrN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H,(H2,10,11,12)
(5)Std. InChIKey: IJXKEDDKGGBSBX-UHFFFAOYSA-N

Product Name

6-BROMO-2-QUINAZOLINAMINE

6-Bromoquinazolin-2-ylamine Specification

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