Products Categories
CAS No.: | 799283-93-5 |
---|---|
Name: | 1-(5-Bromopyrimidin-2-yl)piperidine-3-carboxylic acid |
Molecular Structure: | |
Formula: | C10H12BrN3O2 |
Molecular Weight: | 286.12500 |
Synonyms: | 1-(5-Bromo pyrimidine-2-yl)piperdine-3-carboxylic acid; |
Density: | 1.62 g/cm3 |
Melting Point: | 191-193 |
Boiling Point: | 483.2 °C at 760 mmHg |
Flash Point: | 246 °C |
Hazard Symbols: | Xi |
PSA: | 66.32000 |
LogP: | 1.60510 |
What can I do for you?
Get Best Price
The 3-Piperidinecarboxylicacid, 1-(5-bromo-2-pyrimidinyl)-, with the CAS registry number of 799283-93-5, is also known as 1-(5-Bromo pyrimidine-2-yl)piperdine-3-carboxylic acid. This chemical's molecular formula is C10H12BrN3O2. What's more, its systematic name is called 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylic acid.
Physical properties about the 3-Piperidinecarboxylicacid, 1-(5-bromo-2-pyrimidinyl)- are: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): 0.54; (3)ACD/LogD (pH 7.4): -1.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.52; (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)Melting Point: 191-193°C; (20)Boiling Point: 483.2 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc(nc1)N2CC(C(=O)O)CCC2
(2)InChI: InChI=1/C10H12BrN3O2/c11-8-4-12-10(13-5-8)14-3-1-2-7(6-14)9(15)16/h4-5,7H,1-3,6H2,(H,15,16)
(3) InChIKey: UTUXFIHDAKRGAT-UHFFFAOYAU