-
Name
4,6-DICHLORO-N,N-DIMETHYL-2-PYRIMIDINAMINE
- EINECS
- CAS No. 5734-68-9
- Article Data8
- CAS DataBase
- Density 1.393g/cm3
- Solubility
- Melting Point 56-57,5°C
- Formula C6H7Cl2N3
- Boiling Point 285.1 °C at 760 mmHg
- Molecular Weight 192.048
- Flash Point 126.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Pyrimidine,4,6-dichloro-2-(dimethylamino)- (6CI,7CI,8CI);4,6-Dichloro-2-(dimethylamino)pyrimidine;4,6-Dichloro-N,N-dimethyl-2-pyrimidinamine;
- PSA 29.02000
- LogP 1.84940
2-Pyrimidinamine,4,6-dichloro-N,N-dimethyl- Specification
The 2-Pyrimidinamine,4,6-dichloro-N,N-dimethyl-, with CAS registry number 5734-68-9, has the systematic name of 4,6-dichloro-N,N-dimethylpyrimidin-2-amine. Besides this, it is also called 4,6-Dichloro-2-(dimethylamino)pyrimidine. And the chemical formula of this chemical is C6H7Cl2N3.
Physical properties of 2-Pyrimidinamine,4,6-dichloro-N,N-dimethyl-: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.41; (6)ACD/BCF (pH 7.4): 31.41; (7)ACD/KOC (pH 5.5): 410.45; (8)ACD/KOC (pH 7.4): 410.45; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 46.53 cm3; (15)Molar Volume: 137.7 cm3; (16)Polarizability: 18.44×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.393 g/cm3; (19)Flash Point: 126.2 °C; (20)Enthalpy of Vaporization: 52.42 kJ/mol; (21)Boiling Point: 285.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00286 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(Cl)c1)N(C)C
(2)InChI: InChI=1/C6H7Cl2N3/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3
(3)InChIKey: PWJNRLSPEYCEMV-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H7Cl2N3/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3
(5)Std. InChIKey: PWJNRLSPEYCEMV-UHFFFAOYSA-N
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