2-Pyrazinamine, 5-bromo-3-(phenylmethyl)- supplier

Name
2-AMINO-3-(PHENYLMETHYL)-5-BROMOPYRAZINE
EINECS
CAS No. 174680-55-8
Article Data14
CAS DataBase
Density 1.52 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀BrN₃
Boiling Point 385.9 °C at 760 mmHg
Molecular Weight 264.124
Flash Point 187.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazinamine,5-bromo-3-(phenylmethyl)- (9CI);
PSA 51.80000
LogP 2.99330

2-Pyrazinamine, 5-bromo-3-(phenylmethyl)- Specification

This chemical is called 2-Pyrazinamine, 5-bromo-3-(phenylmethyl)-, and its systematic name is 3-benzyl-5-bromopyrazin-2-amine. With the molecular formula of C₁₁H₁₀BrN₃, its molecular weight is 264.12. The CAS registry number of this chemical is 174680-55-8.

Other characteristics of the 2-Pyrazinamine, 5-bromo-3-(phenylmethyl)- can be summarised as followings: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 287.52; (6)ACD/BCF (pH 7.4): 287.53; (7)ACD/KOC (pH 5.5): 2002.27; (8)ACD/KOC (pH 7.4): 2002.3; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 63.67 cm³; (15)Molar Volume: 173.7 cm³; (16)Polarizability: 25.24×10^-24cm³; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.52 g/cm³; (19)Flash Point: 187.2 °C; (20)Enthalpy of Vaporization: 63.47 kJ/mol; (21)Boiling Point: 385.9 °C at 760 mmHg; (22)Vapour Pressure: 3.69E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1nc(c(nc1)N)Cc2ccccc2
2.InChI: InChI=1/C11H10BrN3/c12-10-7-14-11(13)9(15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14)
3.InChIKey: ZHWYHVYXEQYEQV-UHFFFAOYAF

Product Name

2-AMINO-3-(PHENYLMETHYL)-5-BROMOPYRAZINE

2-Pyrazinamine, 5-bromo-3-(phenylmethyl)- Specification

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