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Cas Database |
| Name |
Boc-S-tert-butylmercapto-L-cysteine |
EINECS | 250-013-2 |
| CAS No. | 30044-61-2 | Density | 1.181 g/cm3 |
| PSA | 126.23000 | LogP | 3.53510 |
| Solubility | N/A | Melting Point |
117-119ºC |
| Formula | C12H23 N O4 S2 | Boiling Point | 438.2 °C at 760 mmHg |
| Molecular Weight | 309.451 | Flash Point | 218.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Alanine,3-(tert-butyldithio)-N-carboxy-, N-tert-butyl ester, L- (8CI) |
Article Data | 5 |
Boc-S-tert-butylmercapto-L-cysteine Chemical Properties
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
Boc-S-tert-butylmercapto-L-cysteine Safety Profile
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Boc-S-tert-butylmercapto-L-cysteine 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 .
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