118-00-3

Name 2-Amino-9-beta-D-ribofuranosyl-9H-purine-6-(1H)-one hydrate
CAS 118-00-3
EINECS(EC#) 204-227-8
Molecular Formula C10H13N5O5
MDL Number MFCD00010182
Molecular Weight 283.24
MOL File 118-00-3.mol

Chemical Properties

Appearance Crystalline
Melting point  250 °C (dec.) (lit.)
alpha  -62 º (c=3, in 0.1 N NaOH)
Boiling point  425.8°C (rough estimate)
density  1.3790 (rough estimate)
refractive index  -76 ° (C=1, 1mol/L NaOH)
storage temp.  Store at RT.
solubility  0.1 M NaOH: 0.1 g/mL, clear, slightly yellow
form  Powder
pka pK1:1.9(+1);pK2:9.25(0);pK3:12.33(OH) (25°C)
color  White to light yellow
Odor Odorless
PH 2.14;9.03
biological source synthetic
Optical Rotation [α]20/D -73±2°, c = 1.5% in 1 M NaOH
Water Solubility  0.75 g/L (25 ºC)
λmax 256 (pH 0.7);253,276 (pH 7);256~266 (pH 11.3)
Merck  14,4566
BRN  625911
Cosmetics Ingredients Functions OPACIFYING
SKIN CONDITIONING
InChI 1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
InChIKey NYHBQMYGNKIUIF-UUOKFMHZSA-N
SMILES [H]O[H].NC1=Nc2c(ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1
LogP -2.331 (est)
CAS DataBase Reference 118-00-3(CAS DataBase Reference)
NIST Chemistry Reference guanosine(118-00-3)
EPA Substance Registry System 118-00-3(EPA Substance)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301
Precautionary statements  P301+P310
Hazard Codes  T,Xi
Risk Statements 
R25:Toxic if swallowed.
Safety Statements 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  MF8750000
F  10-23
Hazard Note  Irritant
TSCA  Yes
HazardClass  6.1
PackingGroup  Ⅲ
HS Code  29349990
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

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