IUPAC Name: tert-Butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
Molecular Formula: C10H20N2O3
Molecular Weight: 216.2774 g/mol
Molecular structure of (S)-1-Boc-3-hydroxymethyl-piperazine (CAS NO.314741-40-7):
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4
Index of Refraction: 1.477
Molar Refractivity: 56.4 cm3
Molar Volume: 199.3 cm3
Surface Tension: 37.2 dyne/cm
Density: 1.085 g/cm3
Flash Point: 149.1 °C
Enthalpy of Vaporization: 65.46 kJ/mol
Boiling Point: 322.9 °C at 760 mmHg
Vapour Pressure: 2.15E-05 mmHg at 25 °C
Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(C1)CO
Isomeric SMILES: CC(C)(C)OC(=O)N1CCN[C@@H](C1)CO
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m0/s1
InChIKey: NSILYQWHARROMG-QMMMGPOBSA-N
Product Categories: Piperaizine
(S)-1-Boc-3-hydroxymethyl-piperazine (314741-40-7) is commonly used as pharmaceutical intermediate.
(S)-1-Boc-3-hydroxymethyl-piperazine (CAS NO.314741-40-7) is also named as 1-piperazinecarboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3S)- ; 2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate ; tert-Butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate ; tert-Butyl-(3S)-3-(hydroxymethyl)piperazin-1-carboxylat ; (S)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester ; (S)-4-Boc-2-(Hydroxymethyl)piperazine ; (S)-4-N-Boc-2-Hydroxymethyl-piperazine .
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