120964-45-6

Name 3-Cyclopentene-1,2-diol, 5-(4-aMino-1H-iMidazo[4,5-c]pyridin-1-yl)-3-(hydroxyMethyl)-, (Hydrochloride) (1:1), (1S,2R,5R)-
CAS 120964-45-6
Molecular Formula C12H15ClN4O3
MDL Number MFCD18782644
Molecular Weight 298.726
MOL File 120964-45-6.mol

Chemical Properties

Melting point  168-169℃
storage temp.  -20°C
solubility  H2O: ≥5mg/mL
form  Tan solid
color  white to beige
Optical Rotation [α]/D -88 to -108°, c =0.1 in water
Water Solubility  Soluble in water (10mM)
InChI InChI=1/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H/t8-,10-,11+;/s3
InChIKey UNSKMHKAFPRFTI-FDKLLANESA-N
SMILES C1[C@@H]([n]2c3ccnc(N)c3nc2)[C@H](O)[C@H](O)C=1CO.Cl |&1:1,12,14,r|

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3

Hazard Information

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