2-Pyrazinamine,3-(phenylmethyl)- supplier

Name
2-AMINO-3-(PHENYLMETHYL)-PYRAZINE
EINECS
CAS No. 185148-51-0
Article Data2
CAS DataBase
Density 1.175 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁N₃
Boiling Point 356.6 °C at 760 mmHg
Molecular Weight 185.228
Flash Point 196.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazinamine,3-(phenylmethyl)- (9CI);2-Amino-3-(phenylmethyl)-pyrazine;3-Benzylpyrazin-2-amine;
PSA 51.80000
LogP 2.23080

2-Pyrazinamine,3-(phenylmethyl)- Specification

The 2-Pyrazinamine,3-(phenylmethyl)-, with the CAS registry number 185148-51-0, is also known as 2-Amino-3-(phenylmethyl)-pyrazine. Its systematic name is 3-Benzylpyrazin-2-amine. This chemical's molecular formula is C₁₁H₁₁N₃ and molecular weight is 185.23. What's more, it belongs to the product category of API Intermediates.

Physical properties of 2-Pyrazinamine,3-(phenylmethyl)- are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.65; (6)ACD/BCF (pH 7.4): 24.8; (7)ACD/KOC (pH 5.5): 344.44; (8)ACD/KOC (pH 7.4): 346.54; (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: 1.628; (14)Molar Refractivity: 55.98 cm³; (15)Molar Volume: 157.5 cm³; (16)Polarizability: 22.19×10^-24cm³; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 196.7 °C; (20)Enthalpy of Vaporization: 60.19 kJ/mol; (21)Boiling Point: 356.6 °C at 760 mmHg; (22)Vapour Pressure: 2.88E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnc(N)c1Cc2ccccc2
(2)InChI: InChI=1S/C11H11N3/c12-11-10(13-6-7-14-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,14)
(3)InChIKey: QUMTUMRZWRCBQW-UHFFFAOYSA-N

Product Name

2-AMINO-3-(PHENYLMETHYL)-PYRAZINE

2-Pyrazinamine,3-(phenylmethyl)- Specification

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