CAS No.65766-32-7,6-chloro-Nmethylpyrimidin-4-amine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	65766-32-7
Name:	6-chloro-Nmethylpyrimidin-4-amine
Article Data:	33

Formula:	C₅H₆ClN₃
Molecular Weight:	143.576
Synonyms:	(6-Chloropyrimidin-4-yl)methylamine;6-Chloro-4-(methylamino)pyrimidine;NSC 211762;6-Chloro-N-methyl-4-pyrimidinamine;
Density:	1.338 g/cm³
Melting Point:	138-142°C
Boiling Point:	279.7 °C at 760 mmHg
Flash Point:	122.9 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38-43
Safety:	26-36/37/39
PSA:	37.81000
LogP:	1.24470

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Specification

The IUPAC name of 4-Pyrimidinamine,6-chloro-N-methyl- is 6-chloro-N-methylpyrimidin-4-amine. With the CAS registry number 65766-32-7, it is also named as (6-Chloropyrimidin-4-yl)methylamine. The product's categories are Pyrimidine; Amines; blocks; APIs & Intermediate. In addition, its molecular formula is C₅H₆ClN₃ and its molecular weight is 143.57424.

The other characteristics of 4-Pyrimidinamine,6-chloro-N-methyl- can be summarized as: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.78; (6)ACD/BCF (pH 7.4): 15.79; (7)ACD/KOC (pH 5.5): 250.67; (8)ACD/KOC (pH 7.4): 250.81; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 36.93 cm³; (15)Molar Volume: 107.2 cm³; (16)Polarizability: 14.64×10^-24cm³; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.338 g/cm³; (19)Flash Point: 122.9 °C; (20)Enthalpy of Vaporization: 51.84 kJ/mol; (21)Boiling Point: 279.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00396 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ncnc(NC)c1
(2)InChI: InChI=1/C5H6ClN3/c1-7-5-2-4(6)8-3-9-5/h2-3H,1H3,(H,7,8,9)
(3)InChIKey: WZVLJUBTIWFTIE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H6ClN3/c1-7-5-2-4(6)8-3-9-5/h2-3H,1H3,(H,7,8,9)
(5)Std. InChIKey: WZVLJUBTIWFTIE-UHFFFAOYSA-N