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1-(2-Pyrimidinyl)piperidine-4-carboxylic acid

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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 Molecular Structure of 303144-44-7 (1-(2-Pyrimidinyl)piperidine-4-carboxylic acid) Hazard Symbols Xn
Synonyms

1-(Pyrimidin-2-yl)piperidine-4-carboxylicacid;1-Pyrimidin-2-yl-piperidine-4-carboxylic acid;

Article Data 3

1-(2-Pyrimidinyl)piperidine-4-carboxylic acid Specification

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

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