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125-53-1

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Basic Information
CAS No.: 125-53-1
Name: oxyphencyclimine
Molecular Structure:
Molecular Structure of 125-53-1 (oxyphencyclimine)
Formula: C20H28N2O3
Molecular Weight: 344.454
Synonyms: Cyclohexaneglycolicacid, a-phenyl-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methylester (6CI,7CI,8CI);2-Pyrimidinemethanol, 1,4,5,6-tetrahydro-1-methyl-, a-phenylcyclohexaneglycolate(ester) (8CI);1,4,5,6-Tetrahydro-1-methyl-2-pyrimidinemethanol a-phenylcyclohexaneglycolate (ester);Antulcus;Caridan;Naridan;Zamanil;
EINECS: 204-743-3
Density: 1.188 g/cm3
Boiling Point: 528.165 °C at 760 mmHg
Flash Point: 273.225 °C
PSA: 62.13000
LogP: 2.10520
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Specification

The Oxyphencyclimine, with the CAS registry number 125-53-1, is also known as 1,4,5,6-Tetrahydro-1-methyl-2-pyrimidinemethanol a-phenylcyclohexaneglycolate (ester). Its EINECS number is 204-743-3. This chemical's molecular formula is C20H28N2O3 and molecular weight is 344.45. What's more, its systematic name is (1-Methyl-1,4,5,6-tetrahydro-2-pyrimidinyl)methyl cyclohexyl(hydroxy)phenylacetate. This chemical is an antimuscarinic.

Physical properties of Oxyphencyclimine are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 5.61; (6)ACD/BCF (pH 7.4): 5.78; (7)ACD/KOC (pH 5.5): 32.32; (8)ACD/KOC (pH 7.4): 33.29; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 62.13 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 97.524 cm3; (15)Molar Volume: 290.014 cm3; (16)Polarizability: 38.661×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 273.225 °C; (20)Enthalpy of Vaporization: 84.519 kJ/mol; (21)Boiling Point: 528.165 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC/1=N/CCCN\1C)C(O)(c2ccccc2)C3CCCCC3
(2)Std. InChI: InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
(3)Std. InChIKey: DUDKAZCAISNGQN-UHFFFAOYSA-N