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Merck
CN

A008

7-(β-Hydroxyethyl)theophylline

Synonym(s):

1,3-Dimethyl-7-(2-hydroxyethyl)xanthine

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About This Item

Empirical Formula (Hill Notation):
C9H12N4O3
CAS Number:
519-37-9
Molecular Weight:
224.22
EC Number:
208-269-8
UNSPSC Code:
12352204
MDL number:
MFCD00055055

Key Documents

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InChI key

NWPRCRWQMGIBOT-UHFFFAOYSA-N

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

SMILES string

CN1C(=O)N(C)c2ncn(CCO)c2C1=O

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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