Aminoethyl theophylline

Modify Date: 2025-08-26 11:55:45

Aminoethyl theophylline Structure
Aminoethyl theophylline structure
 Common Name Aminoethyl theophylline
CAS Number 35206-02-1 Molecular Weight 223.23200
Density 1.51g/cm3 Boiling Point 470.7ºC at 760 mmHg
Molecular Formula C9H13N5O2 Melting Point N/A
MSDS N/A Flash Point 238.5ºC

 Names

Name 7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.51g/cm3
Boiling Point 470.7ºC at 760 mmHg
Molecular Formula C9H13N5O2
Molecular Weight 223.23200
Flash Point 238.5ºC
Exact Mass 223.10700
PSA 87.84000
Index of Refraction 1.703
InChIKey XUTQHTZFMFGXDJ-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(ncn2CCN)n(C)c1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH3940000
CHEMICAL NAME :
Theophylline, 7-(2-aminoethyl)-
CAS REGISTRY NUMBER :
35206-02-1
BEILSTEIN REFERENCE NO. :
0251762
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H13-N5-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
712 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,649,1954

 Safety Information

HS Code 2933990090

 Synthetic Route

Aziridine structure

Aziridine

CAS#:151-56-4

Theophylline structure

Theophylline

CAS#:58-55-9

~62%

Aminoethyl theophylline Structure

Aminoethyl theo...

CAS#:35206-02-1

Literature: Stamm, Helmut Journal fuer Praktische Chemie - Practical Applications and Applied Chemistry (Germany), 1999 , vol. 341, # 4 p. 319 - 331
1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl- structure

1H-Purine-2,6-d...

CAS#:5878-61-5

~%

Aminoethyl theophylline Structure

Aminoethyl theo...

CAS#:35206-02-1

Literature: Chemiewerk Homburg A.G. Patent: DE1011424 , 1954 ;
1,3-dimethyl-7-(2-phthalimido-ethyl)-3,7-dihydro-purine-2,6-dione structure

1,3-dimethyl-7-...

CAS#:70454-20-5

~%

Aminoethyl theophylline Structure

Aminoethyl theo...

CAS#:35206-02-1

Literature: Lur'e Zhurnal Obshchei Khimii, 1940 , vol. 10, p. 1909,1914 Chem. Zentralbl., 1941 , vol. 112, # II p. 36

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Theophylline,7-(2-aminoethyl)
EINECS 252-436-8
7-(2-Amino-aethyl)-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
7-(2-Aminoaethyl)-theophyllin
Aminoaethyl theophyllin [German]
7-(2-aminoethyl)-theophylline
7-(2-Aminoethyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion
Aminoethyl theophylline
7-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
7-(2-amino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
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