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CAS No.: | 28840-64-4 |
---|---|
Name: | 4-Hydrazino-6-methylpyrimidin-2-amine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C5H9N5 |
Molecular Weight: | 139.16 |
Synonyms: | 4(1H)-Pyrimidinone,2-amino-6-methyl-, hydrazone (9CI);Pyrimidine, 2-amino-4-hydrazino-6-methyl-(7CI,8CI);2-Amino-4-hydrazino-6-methyl pyrimidine;NSC 527445;4-Hydrazinyl-6-methylpyrimidin-2-amine; |
Density: | 1.376 g/cm3 |
Melting Point: | 238 °C |
Boiling Point: | 431.1 °C at 760 mmHg |
Flash Point: | 214.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 89.85000 |
LogP: | 1.00730 |
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The IUPAC name of 2-Pyrimidinamine,4-hydrazinyl-6-methyl- is 4-hydrazinyl-6-methylpyrimidin-2-amine. With the CAS registry number 28840-64-4, it is also named as 2-Amino-4-hydrazino-6-methyl pyrimidine. The product's categories are Pyrimidine; APIs & Intermediate; Pyrimidines. In addition, its molecular formula is C5H9N5 and its molecular weight is 139.16.
The other characteristics of 2-Pyrimidinamine,4-hydrazinyl-6-methyl- can be summarized as: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 1.07; (6)ACD/BCF (pH 7.4): 2.24; (7)ACD/KOC (pH 5.5): 29.48; (8)ACD/KOC (pH 7.4): 61.69; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.5 Å2; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 40 cm3; (15)Molar Volume: 101 cm3; (16)Polarizability: 15.86×10-24cm3; (17)Surface Tension: 85.3 dyne/cm; (18)Density: 1.376 g/cm3; (19)Flash Point: 214.5 °C; (20)Enthalpy of Vaporization: 68.67 kJ/mol; (21)Boiling Point: 431.1 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: n1c(cc(nc1N)NN)C
(2)InChI: InChI=1/C5H9N5/c1-3-2-4(10-7)9-5(6)8-3/h2H,7H2,1H3,(H3,6,8,9,10)
(3)InChIKey: MWYPVCMVSYPXBW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H9N5/c1-3-2-4(10-7)9-5(6)8-3/h2H,7H2,1H3,(H3,6,8,9,10)
(5)Std. InChIKey: MWYPVCMVSYPXBW-UHFFFAOYSA-N