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4-Piperidinecarboxylicacid, 1-(5-bromo-2-pyrimidinyl)-

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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 Molecular Structure of 799283-92-4 (1-(5-BROMOPYRIMIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID) Hazard Symbols Xi
Synonyms

1-(5-bromopyrimidin-2-yl)piperidine-4-carboxylic acid;

 

4-Piperidinecarboxylicacid, 1-(5-bromo-2-pyrimidinyl)- Specification

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

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