4-Pyrimidinamine,6-(4-methyl-1-piperazinyl)- supplier

Name
4-AMINO-6-(4-METHYL-1-PIPERAZINYL)PYRIMIDINE
EINECS
CAS No. 96225-96-6
Article Data3
CAS DataBase
Density 1.197 g/cm³
Solubility
Melting Point
Formula C₉H₁₅N₅
Boiling Point 392.133 °C at 760 mmHg
Molecular Weight 193.252
Flash Point 190.955 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-6-(4-methyl-1-piperazinyl)pyrimidine;
PSA 58.28000
LogP 0.39470

4-Pyrimidinamine,6-(4-methyl-1-piperazinyl)- Specification

The 4-Pyrimidinamine,6-(4-methyl-1-piperazinyl)- is an organic compound with the formula C₉H₁₅N₅. The systematic name of this chemical is 6-(4-methylpiperazin-1-yl)pyrimidin-4-amine. With the CAS registry number 96225-96-6, it is also named as 4-Amino-6-(4-methyl-1-piperazinyl)pyrimidine.

Physical properties about 4-Pyrimidinamine,6-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 0.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 58.28 Å²; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 55.151 cm³; (12)Molar Volume: 161.483 cm³; (13)Polarizability: 21.863×10^-24cm³; (14)Surface Tension: 58.273 dyne/cm; (15)Density: 1.197 g/cm³; (16)Flash Point: 190.955 °C; (17)Enthalpy of Vaporization: 64.184 kJ/mol; (18)Boiling Point: 392.133 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCN(CC1)c2ncnc(N)c2
(2)InChI: InChI=1/C9H15N5/c1-13-2-4-14(5-3-13)9-6-8(10)11-7-12-9/h6-7H,2-5H2,1H3,(H2,10,11,12)
(3)InChIKey: NBVLAXUVAVBGGR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H15N5/c1-13-2-4-14(5-3-13)9-6-8(10)11-7-12-9/h6-7H,2-5H2,1H3,(H2,10,11,12)
(5)Std. InChIKey: NBVLAXUVAVBGGR-UHFFFAOYSA-N

Product Name

4-AMINO-6-(4-METHYL-1-PIPERAZINYL)PYRIMIDINE

4-Pyrimidinamine,6-(4-methyl-1-piperazinyl)- Specification

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