CAS No.149715-45-7,(S)-4-benzyl-2-hydroxymethylpiperazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	149715-45-7
Name:	(S)-4-benzyl-2-hydroxymethylpiperazine
Article Data:	4

Formula:	C₁₂H₁₈N₂O
Molecular Weight:	206.288
Synonyms:	2-Piperazinemethanol,4-(phenylmethyl)-, (S)-;((2S)-4-Benzylpiperazin-2-yl)methanol;(S)-4-Benzyl-2-hydroxymethylpiperazine;
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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Specification

The 2-Piperazinemethanol,4-(phenylmethyl)-, (2S)-, with the CAS registry number 149715-45-7, is also known as (S)-4-Benzyl-2-hydroxymethylpiperazine. This chemical's molecular formula is C₁₂H₁₈N₂O and molecular weight is 206.28. What's more, its systematic name is [(2S)-4-Benzylpiperazin-2-yl]methanol.

Physical properties of 2-Piperazinemethanol,4-(phenylmethyl)-, (2S)- 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^-24cm³; (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-/m0/s1
(3)InChIKey: PJMFGDYBTJEEDP-LBPRGKRZSA-N