Skip to Content
Merck
CN

Key Documents

View All Documentation

91841

1-(3-Carboxypropyl)-3,7-dimethylxanthine

analytical standard

Synonym(s):

1-(3-Carboxypropyl)theobromine

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Empirical Formula (Hill Notation):
C11H14N4O4
CAS Number:
6493-07-8
Molecular Weight:
266.25
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329770088
MDL number:
MFCD08063778
Beilstein/REAXYS Number:
561666
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

grade

analytical standard

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

pharmaceutical

format

neat

storage temp.

−20°C

SMILES string

O=C1C2=C(N=CN2C)N(C)C(N1CCCC(O)=O)=O

InChI

1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)

InChI key

WKASGTGXOGALBG-UHFFFAOYSA-N

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCBT9371

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library