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169447-76-1

Basic Information
CAS No.: 169447-76-1
Name: (S)-1-N-Boc-2-butylpiperazine
Article Data: 4
Molecular Structure:
Molecular Structure of 169447-76-1 ((S)-1-N-Boc-2-butylpiperazine)
Formula: C13H26N2O2
Molecular Weight: 242.20
Synonyms: 1-Piperazinecarboxylicacid, 2-butyl-, 1,1-dimethylethyl ester, (S)-;
Density: 0.964 g/cm3
Boiling Point: 320.53 °C at 760 mmHg
Flash Point: 147.652 °C
PSA: 41.57000
LogP: 2.65220
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Chemistry

IUPAC Name:  tert-Butyl (2S)-2-butylpiperazine-1-carboxylate
Synonyms of (S)-1-Boc-2-butylpiperazine (CAS NO.169447-76-1): (S)-1-N-Boc-2-butylpiperazine ; (S)-1-Boc-2-butyl-piperazine ; (2S)-1-N-Boc-2-butylpiperazine
CAS NO: 169447-76-1
Molecular Formula: C13H26N2O2 
Molecular Weight: 242.36 
Molecular Structure:
H bond acceptors:  4 
H bond donors:  1 
Freely Rotating Bonds:  5 
Polar Surface Area:  41.57 Å2 
Index of Refraction:  1.459 
Molar Refractivity:  68.76 cm3 
Molar Volume:  251.3 cm  
Surface Tension:  31.5 dyne/cm 
Density:  0.964 g/cm3 
Flash Point:  147.7 °C 
Enthalpy of Vaporization:  56.22 kJ/mol 
Boiling Point:  320.5 °C at 760 mmHg 
Vapour Pressure:  0.000316 mmHg at 25°C 
SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1CCCC
InChI: InChI=1/C13H26N2O2/c1-5-6-7-11-10-14-8-9-15(11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m0/s1 
InChIKey: YWHDUWJBVKOUGW-NSHDSACABU 
Std. InChI: InChI=1S/C13H26N2O2/c1-5-6-7-11-10-14-8-9-15(11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m0/s1
Std. InChIKey: YWHDUWJBVKOUGW-NSHDSACASA-N 
Product Categories of (S)-1-Boc-2-butylpiperazine (CAS NO.169447-76-1): Piperaizine