Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Pyrimidinamine, 2-chloro-N, 6-dimethyl-5-nitro- |
EINECS | N/A |
CAS No. | 5177-14-0 | Density | 1.496 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7ClN4O2 | Boiling Point | 385.6 °C at 760 mmHg |
Molecular Weight | 202.6 | Flash Point | 187 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-5-nitro-4-methyl-6-(methylamino)pyrimidine; |
Article Data | 3 |
The 4-Pyrimidinamine, 2-chloro-N, 6-dimethyl-5-nitro-, with the CAS registry number 5177-14-0, is also known as 2-Chloro-5-nitro-4-methyl-6-(methylamino)pyrimidine. This chemical's molecular formula is C6H7ClN4O2 and molecular weight is 202.5984. What's more, its IUPAC name is 2-Chloro-N, 6-dimethyl-5-nitropyrimidin-4-amine.
Physical properties about 4-Pyrimidinamine, 2-chloro-N, 6-dimethyl-5-nitro- are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.08; (6)ACD/BCF (pH 7.4): 91.08; (7)ACD/KOC (pH 5.5): 879.33; (8)ACD/KOC (pH 7.4): 879.33; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.84 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 48.31 cm3; (15)Molar Volume: 135.4 cm3; (16)Polarizability: 19.15×10-24 cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.496 g/cm3; (19)Flash Point: 187 °C; (20)Enthalpy of Vaporization: 63.44 kJ/mol; (21)Boiling Point: 385.6 °C at 760 mmHg; (22)Vapour Pressure: 3.76E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(c([N+]([O-])=O)c(n1)NC)C
(2) InChI: InChI=1/C6H7ClN4O2/c1-3-4(11(12)13)5(8-2)10-6(7)9-3/h1-2H3,(H,8,9,10)
(3) InChIKey: PXSQHPDRGYDOGZ-UHFFFAOYAF