Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloro-6-(dimethylamino)pyrimidine |
EINECS | N/A |
CAS No. | 31058-83-0 | Density | 1.253 g/cm3 |
PSA | 29.02000 | LogP | 1.19600 |
Solubility | N/A | Melting Point |
102-103 °C |
Formula | C6H8ClN3 | Boiling Point | 271.407 °C at 760 mmHg |
Molecular Weight | 157.603 | Flash Point | 117.943 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 43 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-6-(dimethylamino)pyrimidine; |
Article Data | 8 |
The (6-Chloro-pyrimidin-4-yl)-dimethyl-amine, with the CAS registry number 31058-83-0, is also known as 4-Chloro-6-(dimethylamino)pyrimidine. This chemical's molecular formula is C6H8ClN3 and molecular weight is 157.6008. What's more, its IUPAC name is 6-Chloro-N, N-dimethylpyrimidin-4-amine.
Physical properties about (6-Chloro-pyrimidin-4-yl)-dimethyl-amine are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 211; (8)ACD/KOC (pH 7.4): 212; (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: 1.576; (14)Molar Refractivity: 41.644 cm3; (15)Molar Volume: 125.823 cm3; (16)Polarizability: 16.509×10-24 cm3; (17)Surface Tension: 49.335 dyne/cm; (18)Density: 1.253 g/cm3; (19)Flash Point: 117.943 °C; (20)Enthalpy of Vaporization: 50.964 kJ/mol; (21)Boiling Point: 271.407 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(ncn1)N(C)C
(2) InChI: InChI=1/C6H8ClN3/c1-10(2)6-3-5(7)8-4-9-6/h3-4H,1-2H3
(3) InChIKey: WAGVAZQFCOMORW-UHFFFAOYAJ