Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(2-Pyrimidinyl)piperidine-4-carboxylic acid |
EINECS | N/A |
CAS No. | 303144-44-7 | Density | 1.291 g/cm3 |
PSA | 66.32000 | LogP | 0.84260 |
Solubility | N/A | Melting Point |
103-105 °C |
Formula | C10H13N3O2 | Boiling Point | 434 °C at 760 mmHg |
Molecular Weight | 207.23 | Flash Point | 216.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
1-(Pyrimidin-2-yl)piperidine-4-carboxylicacid;1-Pyrimidin-2-yl-piperidine-4-carboxylic acid; |
Article Data | 3 |
This chemical is called 1-(2-Pyrimidinyl)piperidine-4-carboxylic acid, and it can also be named as 4-Piperidinecarboxylic acid, 1-(2-pyrimidinyl)-. With the molecular formula of C10H13N3O2, its molecular weight is 207.23. The CAS registry number of this chemical is 303144-44-7. Additionally, its product categories are Carboxylic Acids; Pyrans, Piperidines & Piperazines; Carboxylic Acids; Pyrans, Piperidines & Piperazines. This chemical should be sealed in the cool and dry place.
Other characteristics of the 1-(2-Pyrimidinyl)piperidine-4-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.32 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 53.35 cm3; (15)Molar Volume: 160.3 cm3; (16)Polarizability: 21.15×10-24cm3; (17)Surface Tension: 63.1 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 216.2 °C; (20)Enthalpy of Vaporization: 72.73 kJ/mol; (21)Boiling Point: 434 °C at 760 mmHg; (22)Vapour Pressure: 2.67E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C2CCN(c1ncccn1)CC2
2.InChI: InChI=1/C10H13N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,14,15)
3.InChIKey: DYVXURZASBPYFR-UHFFFAOYAS