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IUPAC Name: Tert-butyl (3S)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
Molecular Formula: C14H27N3O3
Molecular Weight: 285.38 g/mol
Canonical SMILES: CC(C)(C)NC(=O)C1CN(CCN1)C(=O)OC(C)(C)C
InChI: InChI=1S/C14H27N3O3/c1-13(2,3)16-11(18)10-9-17(8-7-15-10)12(19)20-14(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,18)/t10-/m0/s1
Mol File: 150323-35-6.mol
Product Categories: pharmacetical; chiral; Chiral Reagents; Intermediates & Fine Chemicals
XLogP3-AA: 0.8
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 285.205242
MonoIsotopic Mass: 285.205242
Topological Polar Surface Area: 70.7
Heavy Atom Count: 20
Complexity: 369
Index of Refraction: 1.48
Molar Refractivity: 76.841 cm3
Molar Volume: 270.365 cm3
Polarizability: 30.462×10-24cm3
Surface Tension: 36.665 dyne/cm
Density: 1.056 g/cm3
Flash Point: 218.114 °C
Enthalpy of Vaporization: 69.359 kJ/mol
Boiling Point: 437.039 °C at 760 mmHg
Melting Point: 105-109 °C
Vapour Pressure of (S)-2-tert-Butylcarboxamide-4-tert-butoxycarbonyl (CAS NO.150323-35-6): 0 mmHg at 25 °C
(S)-2-tert-Butylcarboxamide-4-tert-butoxycarbonyl (CAS NO.150323-35-6) is an intermediate in the synthesis of Indinavir .
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements of (S)-2-tert-Butylcarboxamide-4-tert-butoxycarbonyl (CAS NO.150323-35-6): 37/39-26
S37/39: Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
(S)-2-tert-Butylcarboxamide-4-tert-butoxycarbonyl (CAS NO.150323-35-6), its Synonyms are N-tert-butyl-4-(tert-butoxycarbonyl)-(S)-2-piperazine carboxamide ; (S)-3-Tert-butylcarbamoyl-piperazine-1-carboxylic acid tert-butyl ester ; (S)-3-Boc-piperazine-2-carboxylic acid tert-butylamide ; (S)-2-Tert-butylcarboxamide-4-tert-butoxycarbonylpiperazine ; (S)-(+)-2-(Tert-butylcarboxyamide)-4-tert-butoxycarbonylpiperazine ; (S)-2-(Tert-butylcarboxyamide)-4-tert-butoxycarbonylpiperazine ; (S)-2-T-butylcarboxamide-4-t-butoxycarbonyl piperazine ; (S)-4-Boc-piperazine-2-carboxyl-t-butylamide . It is White to off-white crystalline powder.