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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyrimidinamine,4-chloro-6-methyl-5-(2-propyn-1-yl)-
898770-77-9 structure

2-Pyrimidinamine,4-chloro-6-methyl-5-(2-propyn-1-yl)-

CAS No.:898770-77-9
Molecular Weight:273.37
Molecular Formula:C10H9NO3 (isomer)
Names and Identifiers
Synonyms

2-Pyrimidinamine,4-chloro-6-methyl-5-(2-propynyl)- (9CI) 4-chloro-6-methyl-5-(2-propynyl)-2-pyrimidinamine 4-chloro-6-methyl-5-(prop-2-yn-1-yl)pyrimidin-2-amine 4-chloro-6-methyl-5-prop-2-ynyl-pyrimidin-2-amine 6-chloro-4-methyl-5-(2-propynyl)-2-pyrimidinamine 938c375 ACMC-1C1WX AKOS006237151 AN-32182 CTK4B8251 DTXSID80697139 KB-190909 ZINC95932733

Inchi
InChI=1/C17H23NO2/c19-17(15-3-1-2-4-15)16-7-5-14(6-8-16)13-18-9-11-20-12-10-18/h5-8,15H,1-4,9-13H2
Properties
Density
1
Boiling Point
452.9±45.0 °C at 760 mmHg
Refractive Index
1.565
Flash Point
102.8ºC
HS Code
2934999090
Safety and Handling
Specification

The 4-Chloro-6-methyl-5-(2-propynyl)-2-pyrimidinamine with the cas number 132938-37-5 is also called 6-Chloro-4-methyl-5-(2-propynyl)-2-pyrimidinamine. The systematic name is 2-pyrimidinamine, 4-chloro-6-methyl-5-(2-propyn-1-yl)-. Its molecular formula is C8H8ClN3. The product's category is Heterocycle. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.43; (6)ACD/BCF (pH 7.4): 5.44; (7)ACD/KOC (pH 5.5): 116.9; (8)ACD/KOC (pH 7.4): 116.94; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 48.4 cm3; (15)Molar Volume: 139.4 cm3; (16)Polarizability: 19.18×10-24cm3; (17)Surface Tension: 61.3 dyne/cm; (18)Enthalpy of Vaporization: 59.38 kJ/mol; (19)Vapour Pressure: 4.75×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(c(nc(n1)N)Cl)CC#C
(2)InChI: InChI=1/C8H8ClN3/c1-3-4-6-5(2)11-8(10)12-7(6)9/h1H,4H2,2H3,(H2,10,11,12)
(3)InChIKey: QWBJSLGKMVRROO-UHFFFAOYAN

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