7-(2-HYDROXYETHYL)THEOPHYLLINE Structure

7-(2-HYDROXYETHYL)THEOPHYLLINE

Chemical Properties

Melting point 163°C
Boiling point 365.61°C (rough estimate)
Density  1.3055 (rough estimate)
refractive index  1.6300 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  H2O: Solutions may be stored for several days at 4°C.soluble
pka 14.48±0.10(Predicted)
form  solid
color  white
Water Solubility  2.991g/L(temperature not stated)
Merck  14,3878
InChI 1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
InChIKey NWPRCRWQMGIBOT-UHFFFAOYSA-N
SMILES CN1C(=O)N(C)c2ncn(CCO)c2C1=O
CAS DataBase Reference 519-37-9(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII L164909TBI
UNSPSC Code 41106305
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P301+P312+P330
Hazard Codes  Xn,Xi
Risk Statements  22-36/37/38
Safety Statements  36-36/37-26
WGK Germany  3
RTECS  XH5850000
HS Code  2939590000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
0
2 0

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