3-Piperidinecarboxylicacid, 1-(5-bromo-2-pyrimidinyl)- supplier

Name
1-(5-Bromopyrimidin-2-yl)piperidine-3-carboxylic acid
EINECS
CAS No. 799283-93-5
Density 1.62 g/cm³
Solubility
Melting Point 191-193
Formula C₁₀H₁₂BrN₃O₂
Boiling Point 483.2 °C at 760 mmHg
Molecular Weight 286.12500
Flash Point 246 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(5-Bromo pyrimidine-2-yl)piperdine-3-carboxylic acid;
PSA 66.32000
LogP 1.60510

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

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

Product Name

1-(5-Bromopyrimidin-2-yl)piperidine-3-carboxylic acid

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

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