611-59-6 structure, C7H8N4O2
1,7-dimethylxanthine
CAS No.: 611-59-6 Formula: C7H8N4O2 Molecular Weight: 180.16400

1,7-dimethylxanthine

CAS No.:

611-59-6

Formula:

C7H8N4O2

Molecular Weight: 180.16400
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Description

Paraxanthine, or 1,7-dimethylxanthine, is a dimethyl derivative of xanthine, structurally related to caffeine. Like caffeine, paraxanthine is a psychoactive central nervous system (CNS) stimulant. It possesses a potency roughly equal to that of caffeine and is likely involved in the mediation of the effects of caffeine itself.

Basic Info

Chemical Name

1,7-dimethylxanthine

Synonyms

1,7-dimethyl-3H-purine-2,6-dione; Paraxanthine;

CAS No.

611-59-6

Molecular Formula

C7H8N4O2

Molecular Weight

180.16400

PSA

72.68000

LogP

-1.03970

Numbering system

MDL number MFCD00005727

Properties

Appearance & Physical State

off-white to pale yellow solid

Density

1.6 g/cm3

Melting Point

294-296ºC(lit.)

Refractive Index

1.737

Stability

Store tightly sealed at RT

Storage Condition

-20ºC Freezer

Safety Info

RTECS

RV9380000

Safety Statements

S22; S24/25

WGK Germany

3

Risk Statements

R22

Hazard Codes

Xn

Symbol

GHS07

Hazard Declaration

H302

Signal Word

Warning

SDS 1.0

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SDS 1.0

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MSDS

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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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611-59-6 NMR spectrum
More
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Intraperitoneal TDLo - Lowest published toxic dose Rodent - mouse 600 mg/kg,female 11-12 day(s) after conception 1.Reproductive-Specific Developmental Abnormalities-eye/ear
2.Reproductive-Specific Developmental Abnormalities-craniofacial (including nose and tongue)
3.Reproductive-Specific Developmental Abnormalities-musculoskeletal system
- Mutation in microorganisms - 150 mg/L -
- Unscheduled DNA synthesis - 1 mmol/L -
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