42854-62-6

Name L-Alanine benzyl ester 4-toluenesulfonate
CAS 42854-62-6
EINECS(EC#) 255-969-4
Molecular Formula C17H21NO5S
MDL Number MFCD00066143
Molecular Weight 351.42
MOL File 42854-62-6.mol

Chemical Properties

Appearance Yellowish Oil
Melting point  112-116 °C
alpha  -5 º (c=3% in methanol)
refractive index  -5.0 ° (C=3, MeOH)
storage temp.  0-6°C
solubility  DMSO, Methanol
form  Solid
color  White
Optical Rotation [α]20/D 5.0±0.5°, c = 3% in methanol
Usage A benzoxazine derivatives as modulators of chemokine receptors for treatment of inflammatory and immunoregulatory diseases.
BRN  3586474
Major Application peptide synthesis
InChI InChI=1/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)/t8-;/s3
InChIKey NWOPHJSSBMABBD-JNODIIHCNA-N
SMILES C1(S(=O)(=O)O)=CC=C(C)C=C1.C1(=CC=CC=C1)COC(=O)[C@@H](N)C |&1:21,r|
CAS DataBase Reference 42854-62-6(CAS DataBase Reference)

Safety Data

Risk Statements 
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HS Code  29224999
Storage Class 11 - Combustible Solids

Hazard Information

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