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37910

Sigma-Aldrich

7-(2,3-Dihydroxypropyl)theophylline

≥97.0% (HPLC)

Synonym(s):

7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, Diprophylline, Dyphylline

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About This Item

Empirical Formula (Hill Notation):
C10H14N4O4
CAS Number:
479-18-5
Molecular Weight:
254.24
Beilstein:
284563
EC Number:
207-526-1
MDL number:
MFCD00005759
UNSPSC Code:
41106305
PubChem Substance ID:
24863612

Assay

≥97.0% (HPLC)

ign. residue

≤0.1%

mp

161-162 °C (lit.)
161-164 °C

SMILES string

CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O

InChI

1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3

InChI key

KSCFJBIXMNOVSH-UHFFFAOYSA-N

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
446357/1
1049622
445414/1
331002/1

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