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Name |
4-Piperidinecarboxylicacid, 1-(5-bromo-2-pyrimidinyl)- |
EINECS | 604-604-1 |
CAS No. | 799283-92-4 | Density | 1.62 g/cm3 |
PSA | 66.32000 | LogP | 1.60510 |
Solubility | N/A | Melting Point |
164-166oC |
Formula | C10H12BrN3O2 | Boiling Point | 483.2 °C at 760 mmHg |
Molecular Weight | 286.13 | Flash Point | 246 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-(5-bromopyrimidin-2-yl)piperidine-4-carboxylic acid; |
The 4-Piperidinecarboxylicacid, 1-(5-bromo-2-pyrimidinyl)-, with the CAS registry number of 799283-92-4, is also known as 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxylic acid. This chemical's molecular formula is C10H12BrN3O2 and molecular weight is 286.13. What's more, its systematic name is 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxylic acid.
Physical properties about the 4-Piperidinecarboxylicacid, 1-(5-bromo-2-pyrimidinyl)- are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): -1.09; (4)ACD/BCF (pH 5.5): 1.07; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.46; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 55.32 Å2; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 61.04 cm3; (14)Molar Volume: 176.5 cm3; (15)Surface Tension: 65.9 dyne/cm; (16)Density: 1.62 g/cm3; (17)Flash Point: 246 °C; (18)Enthalpy of Vaporization: 78.81 kJ/mol; (19)Boiling Point: 483.2 °C at 760 mmHg; (20)Vapour Pressure: 3.8E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc(nc1)N2CCC(C(=O)O)CC2
(2)InChI:InChI=1/C10H12BrN3O2/c11-8-5-12-10(13-6-8)14-3-1-7(2-4-14)9(15)16/h5-7H,1-4H2,(H,15,16)
(3) InChIKey: NKCDUFJDLOFCEE-UHFFFAOYAY