4546-55-8

Name N-BENZOYLADENOSINE
CAS 4546-55-8
EINECS(EC#) 610-251-3
Molecular Formula C17H17N5O5
MDL Number MFCD00056988
Molecular Weight 371.35
MOL File 4546-55-8.mol
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Chemical Properties

Melting point  141-145 °C(lit.)
alpha  -49o (C=1% IN DMSO)
density  1.70
refractive index  -48 ° (C=1, DMSO)
storage temp.  Store at 0°C
form  powder to crystal
pka 7.87±0.43(Predicted)
color  White to Almost white
Optical Rotation [α]20/D -49°, c = 1% in DMSO
BRN  632501
InChIKey NZDWTKFDAUOODA-CNEMSGBDSA-N
SMILES OC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)NC(=O)C3=CC=CC=C3)N=C2)[C@H](O)[C@@H]1O
CAS DataBase Reference 4546-55-8(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  -
REACH Registrations Active
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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