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61220-48-2

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Basic Information
CAS No.: 61220-48-2
Name: 1-Phenyl-3-piperidin-4-ylurea
Article Data: 2
Molecular Structure:
Molecular Structure of 61220-48-2 (1-Phenyl-3-piperidin-4-ylurea)
Formula: C12H17N3O
Molecular Weight: 219.28
Synonyms: 1-Phenyl-3-piperidin-4-yl-urea
Density: 1.14 g/cm3
Boiling Point: 351 °C at 760 mmHg
Flash Point: 136.7 °C
PSA: 56.65000
LogP: 2.29340
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  • 1-Phenyl-3-piperidin-4-ylurea

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Specification

The 1-Phenyl-3-piperidin-4-ylurea, with cas registry number 61220-48-2, has the systematic name of 1-phenyl-3-piperidin-4-ylurea. And it is also called N-phenyl-N'-piperidin-4-ylurea.

Physical properties about this chemical are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.79 Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 63.54 cm3; (13)Molar Volume: 190.8 cm3; (14)Polarizability: 25.18×10-24cm3; (15)Surface Tension: 48 dyne/cm; (16)Enthalpy of Vaporization: 59.56 kJ/mol; (17)Vapour Pressure: 4.24E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1CCNCC1)Nc2ccccc2
(2)InChI: InChI=1/C12H17N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h1-5,11,13H,6-9H2,(H2,14,15,16)
(3)InChIKey: SKBLRKMDOMTQQV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H17N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h1-5,11,13H,6-9H2,(H2,14,15,16)
(5)Std. InChIKey: SKBLRKMDOMTQQV-UHFFFAOYSA-N