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28840-64-4

Basic Information
CAS No.: 28840-64-4
Name: 4-Hydrazino-6-methylpyrimidin-2-amine
Article Data: 5
Molecular Structure:
Molecular Structure of 28840-64-4 (4-Hydrazino-6-methylpyrimidin-2-amine)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 89.85000
LogP: 1.00730
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  • 2-AMino-4-hydrazino-6-MethylpyriMidine

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Specification

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