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CAS No.: | 149715-46-8 |
---|---|
Name: | (R)-4-benzyl-2-hydroxymethylpiperazine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H18N2O |
Molecular Weight: | 206.288 |
Synonyms: | 2-Piperazinemethanol,4-(phenylmethyl)-, (R)-;(R)-4-Benzyl-2-piperazine methanol;[(2R)-4-Benzylpiperazin-2-yl]methanol;(R)-(4-Benzylpiperazin-2-yl)methanol; |
Density: | 1.083 g/cm3 |
Boiling Point: | 318.1 °C at 760 mmHg |
Flash Point: | 146.2 °C |
PSA: | 35.50000 |
LogP: | 0.71940 |
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The 2-Piperazinemethanol,4-(phenylmethyl)-, (2R)-, with the CAS registry number 149715-46-8, is also known as (R)-4-Benzyl-2-hydroxymethylpiperazine. This chemical's molecular formula is C12H18N2O and molecular weight is 206.28. What's more, its systematic name is [(2R)-4-Benzylpiperazin-2-yl]methanol.
Physical properties of 2-Piperazinemethanol,4-(phenylmethyl)-, (2R)- are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.21; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.82; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 60.75 cm3; (15)Molar Volume: 190.4 cm3; (16)Polarizability: 24.08×10-24 cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.083 g/cm3; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 59.08 kJ/mol; (21)Boiling Point: 318.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000154 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@@H]2NCCN(Cc1ccccc1)C2
(2)InChI: InChI=1S/C12H18N2O/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2/t12-/m1/s1
(3)InChIKey: PJMFGDYBTJEEDP-GFCCVEGCSA-N