CAS No.17587-95-0,2-chloro-N4-methylpyrimidine-4,5-diamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17587-95-0
Name:	2-chloro-N4-methylpyrimidine-4,5-diamine

Formula:	C₅H₇ClN₄
Molecular Weight:	158.59
Synonyms:	Pyrimidine, 5-amino-2-chloro-4-(methylamino)-(8CI);2-chloro-N4-methyl-pyrimidine-4,5-diamine;
Density:	1.447 g/cm³
Boiling Point:	387.4 °C at 760 mmHg
Flash Point:	188.1 °C
PSA:	63.83000
LogP:	1.40810

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Specification

This chemical is called 4,5-Pyrimidinediamine, 2-chloro-N4-methyl-, and its CAS registry number is 17587-95-0. With the molecular formula of C₅H₇ClN₄, its molecular weight is 158.59.

Other characteristics of the 4,5-Pyrimidinediamine, 2-chloro-N4-methyl- can be summarised as followings: (1)ACD/LogP: -1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 5.18; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.26 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 41.17 cm³; (15)Molar Volume: 109.5 cm³; (16)Polarizability: 16.32×10^-24cm³; (17)Surface Tension: 69.3 dyne/cm; (18)Density: 1.447 g/cm³; (19)Flash Point: 188.1 °C; (20)Enthalpy of Vaporization: 63.64 kJ/mol; (21)Boiling Point: 387.4 °C at 760 mmHg; (22)Vapour Pressure: 3.31E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1nc(NC)c(cn1)N
2.InChI: InChI=1/C5H7ClN4/c1-8-4-3(7)2-9-5(6)10-4/h2H,7H2,1H3,(H,8,9,10)
3.InChIKey: VDGJDQNGSRECJM-UHFFFAOYAQ