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30044-61-2

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Basic Information
CAS No.: 30044-61-2
Name: BOC-S-TERT-BUTYLMERCAPTO-L-CYSTEINE
Article Data: 5
Molecular Structure:
Molecular Structure of 30044-61-2 (BOC-S-TERT-BUTYLMERCAPTO-L-CYSTEINE)
Formula: C12H23 N O4 S2
Molecular Weight: 309.451
Synonyms: Alanine,3-(tert-butyldithio)-N-carboxy-, N-tert-butyl ester, L- (8CI)
EINECS: 250-013-2
Density: 1.181 g/cm3
Melting Point: 117-119ºC
Boiling Point: 438.2 °C at 760 mmHg
Flash Point: 218.8 °C
Safety: 22-24/25
PSA: 126.23000
LogP: 3.53510
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Chemistry

Molecular Structure of Boc-S-tert-butylmercapto-L-cysteine (CAS No.30044-61-2):
 
Molecular Formula: C12H23NO4S2 
Molecular Weight: 309.4453
CAS No: 30044-61-2
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 8
Polar Surface Area: 126.23Å2
Index of Refraction: 1.526
Molar Refractivity: 80.46 cm3
Molar Volume: 261.9 cm3
Surface Tension: 43.5 dyne/cm
Density: 1.181 g/cm3
Flash Point: 218.8 °C
Enthalpy of Vaporization: 76.19 kJ/mol
Boiling Point: 438.2 °C at 760 mmHg
Vapour Pressure: 6.66E-09 mmHg at 25°C
InChI: InChI=1/C12H23NO4S2/c1-11(2,3)17-10(16)13-8(9(14)15)7-18-19-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKey: PPQRALRLGBAWHD-QMMMGPOBBV
Std. InChI: InChI=1S/C12H23NO4S2/c1-11(2,3)17-10(16)13-8(9(14)15)7-18-19-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m0/s1
Std. InChIKey: PPQRALRLGBAWHD-QMMMGPOBSA-N

Safety Profile

Safety Statements: 22-24/25
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

  Boc-S-tert-butylmercapto-L-cysteine (CAS No.30044-61-2), its synonyms are Boc-Cys(StBu)-OH ; N-[(tert-Butoxy)carbonyl]-3-[(tert-butyl)dithio]-L-alanine .