5068-28-0

Name Boc-S-Benzyl-L-cysteine
CAS 5068-28-0
EINECS(EC#) 225-772-8
Molecular Formula C15H21NO4S
MDL Number MFCD00065567
Molecular Weight 311.4
MOL File 5068-28-0.mol

Chemical Properties

Appearance WHITE MICRO-CRYSTALLINE POWDER
Melting point  86-88 °C
alpha  -44.5 º (c=1, acetic acid)
Boiling point  481.2±45.0 °C(Predicted)
density  1.2189 (rough estimate)
refractive index  -45 ° (C=1, AcOH)
storage temp.  −20°C
solubility  DMSO, Methanol
form  Solid
pka 3.58±0.10(Predicted)
color  White
Optical Rotation [α]20/D 44±1°, c = 1% in acetic acid
BRN  2000417
Major Application peptide synthesis
InChI 1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey IFVORPLRHYROAA-LBPRGKRZSA-N
SMILES CC(C)(C)OC(=O)N[C@@H](CSCc1ccccc1)C(O)=O
CAS DataBase Reference 5068-28-0(CAS DataBase Reference)
EPA Substance Registry System L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-(phenylmethyl)- (5068-28-0)

Safety Data

Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
TSCA  Yes
HazardClass  IRRITANT
HS Code  29309090
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

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