Benzenemethanamine,N-methyl-4-(2-pyrimidinyl)- supplier

Name
n-methyl-4-pyrimidin-2-ylbenzylamine
EINECS
CAS No. 886851-48-5
Density 1.089g/cm³
Solubility
Melting Point 49.5 °C
Formula C₁₂H₁₃N₃
Boiling Point 254.2 °C at 760 mmHg
Molecular Weight 199.25172
Flash Point 107.5 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols C
Synonyms n-methyl-4-pyrimidin-2-ylbenzylamine;Benzenemethanamine, N-methyl-4-(2-pyrimidinyl)- (9CI)
PSA 37.81000
LogP 2.25390

Benzenemethanamine,N-methyl-4-(2-pyrimidinyl)- Specification

The Benzenemethanamine,N-methyl-4-(2-pyrimidinyl)-, with CAS registry number 886851-48-5, belongs to the following product category: Quinazoline. It has the systematic name of N-methyl-1-(4-pyrimidin-2-ylphenyl)methanamine. And the chemical formula of this chemical is C₁₂H₁₃N₃.

Physical properties of Benzenemethanamine,N-methyl-4-(2-pyrimidinyl)-: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.33; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 37.81 Å²; (8)Index of Refraction: 1.572; (9)Molar Refractivity: 60.17 cm³; (10)Molar Volume: 182.7 cm³; (11)Polarizability: 23.85×10^-24cm³; (12)Surface Tension: 45 dyne/cm; (13)Density: 1.089 g/cm³; (14)Flash Point: 107.5 °C; (15)Enthalpy of Vaporization: 49.16 kJ/mol; (16)Boiling Point: 254.2 °C at 760 mmHg; (17)Vapour Pressure: 0.0175 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNCc1ccc(cc1)c2ncccn2
(2)InChI: InChI=1/C12H13N3/c1-13-9-10-3-5-11(6-4-10)12-14-7-2-8-15-12/h2-8,13H,9H2,1H3
(3)InChIKey: DIWVUAYHEYROLA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H13N3/c1-13-9-10-3-5-11(6-4-10)12-14-7-2-8-15-12/h2-8,13H,9H2,1H3
(5)Std. InChIKey: DIWVUAYHEYROLA-UHFFFAOYSA-N

Product Name

n-methyl-4-pyrimidin-2-ylbenzylamine

Benzenemethanamine,N-methyl-4-(2-pyrimidinyl)- Specification

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