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Basic Information
CAS No.: 135637-46-6
Name: 5-[4-methoxy-3-[(2S)-norbornan-2-yl]oxy-phenyl]-1,3-diazinan-2-one
Article Data: 1
Molecular Structure:
Molecular Structure of 135637-46-6 (5-[4-methoxy-3-[(2S)-norbornan-2-yl]oxy-phenyl]-1,3-diazinan-2-one)
Formula: C18H24N2O3
Molecular Weight: 316.4
Synonyms: Tetrahydro-5-(4-methoxy-3-((1S,2S,4R)-2-norbomyloxy)phenyl)-2(1H)-pyrimidinone;
Density: 1.178 g/cm3
Boiling Point: 543.028 °C at 760 mmHg
Flash Point: 282.213 °C
PSA: 59.59000
LogP: 3.31660
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    135637-46-6 5-[4-methoxy-3-[(2S)-norbornan-2-yl]oxy-phenyl]-1,3-diazinan-2-one

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Specification

The 2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-, with the CAS registry number of 135637-46-6, is also known as Tetrahydro-5-(4-methoxy-3-((1S,2S,4R)-2-norbomyloxy)phenyl)-2(1H)-pyrimidinone. This chemical's molecular formula is C18H24N2O3 and molecular weight is 316.3948. What's more, its IUPAC name is 5-[4-[[(3S)-3-Bicyclo[2.2.1]heptanyl]oxy]-3-methoxyphenyl]-1,3-diazinan-2-one.

Physical properties about the 2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 44; (6)ACD/BCF (pH 7.4): 44; (7)ACD/KOC (pH 5.5): 520; (8)ACD/KOC (pH 7.4): 520; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.59 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 86.774 cm3; (15)Molar Volume: 268.47 cm3; (16)Surface Tension: 42.787 dyne/cm; (17)Density: 1.178 g/cm3; (18)Flash Point: 282.213 °C; (19)Enthalpy of Vaporization: 82.129 kJ/mol; (20)Boiling Point: 543.028 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C4NCC(c3cc(O[C@H]2C[C@@H]1CC[C@H]2C1)c(OC)cc3)CN4
(2) InChI: InChI=1/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)/t11-,13+,16+/m1/s1
(3) InChIKey: LITNEAPWQHVPOK-FFSVYQOJBP