-
Name
1-N-PROPYL-3,7-DIMETHYLXANTHINE
- EINECS
- CAS No. 63906-63-8
- Article Data7
- CAS DataBase
- Density 1.34g/cm3
- Solubility
- Melting Point
- Formula C10H14 N4 O2
- Boiling Point 427°Cat760mmHg
- Molecular Weight 222.28
- Flash Point 212°C
- Transport Information
- Appearance
- Safety Poison by intravenous route. Human systemic effects by ingestion: change in motor activity, sweating, nausea. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Propyl-3,7-dimethylxanthine;3,7-Dimethyl-1-propylxanthine; NSC 74791
- PSA 61.82000
- LogP -0.15630
1-Propyl theobromine Chemical Properties
Product Name: 1-Propyl theobromine (CAS NO.63906-63-8)
Molecular Formula: C10H14N4O2
Molecular Weight: 222.28g/mol
Mol File: 63906-63-8.mol
Boiling point: 427 °C at 760 mmHg
Flash Point: 212 °C
Density: 1.34 g/cm3
Surface Tension: 50.5 dyne/cm
Enthalpy of Vaporization: 68.19 kJ/mol
Vapour Pressure: 1.7E-07 mmHg at 25°C
XLogP3-AA: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of 1-Propyl theobromine (CAS NO.63906-63-8):
IUPAC Name: 3,7-dimethyl-1-propylpurine-2,6-dione
Canonical SMILES: CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
InChI: InChI=1S/C10H14N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h6H,4-5H2,1-3H3
InChIKey: XJKSERUTELYNMR-UHFFFAOYSA-N
1-Propyl theobromine Toxicity Data With Reference
| 1. | dni-hmn:oth 4 mmol/L | BIOJAU Biophysical Journal. 35 (1981),665. | ||
| 2. | dns-hmn:oth 1 mmol/L | BIOJAU Biophysical Journal. 35 (1981),665. | ||
| 3. | orl-hmn TDLo:26 mg/kg:CNS,GIT,SKN | JPETAB Journal of Pharmacology and Experimental Therapeutics. 86 (1946),113. | ||
| 4. | ivn-mus LD50:126 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 86 (1946),113. |
1-Propyl theobromine Safety Profile
Poison by intravenous route. Human systemic effects by ingestion: change in motor activity, sweating, nausea. When heated to decomposition it emits toxic fumes of NOx.
1-Propyl theobromine Specification
1-Propyl theobromine , its CAS NO. is 63906-63-8, the synonyms are 1-n-Propyl-3,7-dimethylxanthine ; 4-26-00-02347 (Beilstein Handbook Reference) ; BRN 0023217 ; Theobromine, 1-propyl- .
Related Products
- 1-Propyl theobromine
- 1-Propyl-1,2,4-triazole
- 1-Propyl-1,3-dihydro-2H-benzimidazol-2-one
- 1-Propyl-1H-1,2,4-triazole-5-methanol
- 1-Propyl-1H-imidazole
- 1-Propyl-1H-pyrazole-4-boronic acid pinacol ester
- 1-propyl-2-MethyliMidazole
- 1-Propyl-4-piperidone
- 1-PROPYL-4-PIPERIDYL BENZOATE HYDROCHLORIDE
- 1-PROPYL-4-PIPERIDYL-p-AMINOBENZOATE HYDROCHLORIDE
- 6390-69-8
- 639082-38-5
- 639089-44-4
- 639089-54-6
- 639090-53-2
- 639090-54-3
- 639090-55-4
- 639091-78-4
- 63909-35-3
- 63910-43-0
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View