(S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine supplier

Name
(S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine
EINECS
CAS No. 947275-34-5
Article Data8
CAS DataBase
Density 1.123 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₆N₂O₃
Boiling Point 401.6 °C at 760 mmHg
Molecular Weight 306.405
Flash Point 196.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine;tert-butyl (2S)-4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate;tert-Butyl (2S)-4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate;
PSA 53.01000
LogP 1.97600

(S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine Specification

The (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine, with the CAS registry number 947275-34-5, is also known as 1-Piperazinecarboxylic acid, 2-(hydroxymethyl)-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)-. This chemical's molecular formula is C₁₇H₂₆N₂O₃ and molecular weight is 306.4. Its systematic name is called tert-butyl (2S)-4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate.

Physical properties of (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.74; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 6; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 85.78 cm³; (9)Molar Volume: 272.6 cm³; (10)Surface Tension: 44.5 dyne/cm; (11)Density: 1.123 g/cm³; (12)Flash Point: 196.7 °C; (13)Enthalpy of Vaporization: 68.82 kJ/mol; (14)Boiling Point: 401.6 °C at 760 mmHg; (15)Vapour Pressure: 3.59E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCN(CC1CO)Cc2ccccc2
(2)InChI: InChI=1/C17H26N2O3/c1-17(2,3)22-16(21)19-10-9-18(12-15(19)13-20)11-14-7-5-4-6-8-14/h4-8,15,20H,9-13H2,1-3H3/t15-/m0/s1
(3)InChIKey: YFBKIGOBELWXJV-HNNXBMFYBN

Product Name

(S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine

(S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine Specification

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