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Name |
2-Pyrimidinamine,5-bromo-N,N-dimethyl- |
EINECS | 622-734-6 |
CAS No. | 38696-21-8 | Density | 1.554 g/cm3 |
PSA | 29.02000 | LogP | 1.30510 |
Solubility | N/A | Melting Point |
74-81°C |
Formula | C6H8BrN3 | Boiling Point | 271.959 °C at 760 mmHg |
Molecular Weight | 202.054 | Flash Point | 118.277 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | Xi,Xn | |
Synonyms |
2-Dimethylamino-5-bromopyrimidine;5-Bromo-2-dimethylaminopyrimidine;5-Bromo-N,N-dimethyl-2-pyrimidinamine; |
Article Data | 21 |
The systematic name of 2-Pyrimidinamine,5-bromo-N,N-dimethyl- is 5-bromo-N,N-dimethylpyrimidin-2-amine. With the CAS registry number 38696-21-8, it is also named as 2-Dimethylamino-5-bromopyrimidine. The product's categories are Pyrimidine; Amino; Organohalides. In addition, its molecular formula is C6H8BrN3 and its molecular weight is 202.05.
The other characteristics of 2-Pyrimidinamine,5-bromo-N,N-dimethyl- can be summarized as: (1)ACD/LogP: 1.89; (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): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 239; (8)ACD/KOC (pH 7.4): 239; (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: 1.599; (14)Molar Refractivity: 44.439 cm3; (15)Molar Volume: 130.057 cm3; (16)Polarizability: 17.617×10-24cm3; (17)Surface Tension: 51.314 dyne/cm; (18)Density: 1.554 g/cm3; (19)Flash Point: 118.277 °C; (20)Enthalpy of Vaporization: 51.022 kJ/mol; (21)Boiling Point: 271.959 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cnc(nc1)N(C)C
(2)InChI: InChI=1/C6H8BrN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
(3)InChIKey: NYMYGNLCILQUMT-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H8BrN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
(5)Std. InChIKey: NYMYGNLCILQUMT-UHFFFAOYSA-N