Aminophylline hydrate , 98% , 317-34-0

Synonym(s):
(Theophylline)₂ · Ethylenediamine;3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, cmpd. with 1,2-ethanediamine (2:1);Theophylline hemi(ethylenediamine) complex

CAS NO.：317-34-0

Empirical Formula: C9H16N6O2

Molecular Weight: 240.27

MDL number: MFCD00013221

EINECS: 206-264-5

PRODUCT Properties

• Melting point: 269-270 °C
• storage temp.: Inert atmosphere,Store in freezer, under -20°C
• solubility: H₂O: 3.7 mg/mL solutions should be freshly prepared.
• form: powder
• pka: pKa 5.0 (Uncertain)
• color: white to off-white
• Water Solubility: soluble
• Merck: 14,465
• InChI: InChI=1S/C7H8N4O2.C2H8N2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);1-4H2
• InChIKey: LHRHXWBJUQKYEL-UHFFFAOYSA-N
• SMILES: O=C1N(C(=O)N(C)C2NC=NC1=2)C.C(N)CN
• LogP: -0.175 (est)
• CAS DataBase Reference: 317-34-0(CAS DataBase Reference)
• EPA Substance Registry System: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine (2:1) (317-34-0)

Description and Uses

Aminophylline is a 2/1 mixture of theophylline and ethylenediamine. It caused contact dermatitis in industrial plants, in pharmacists, and in nurses. Ethylenediamine is the sensitizer, and patch testing is generally positive to both ethylenediamine and aminophylline, but negative to theophylline.

Bronchodilatator;Mastocytes degranulation inhibitor

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H301
• Precautionary statements: P301+P310
• Hazard Codes: Xn,C
• Risk Statements: 22-42/43-34-36/37/38-20/21/22
• Safety Statements: 45-36/37/39-26-23-36
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• RTECS: XH5600000
• F: 10-23
• TSCA: Yes
• HazardClass: 6.1(b)
• PackingGroup: III
• HS Code: 29339900
• Hazardous Substances Data: 317-34-0(Hazardous Substances Data)
• Toxicity: LD50 orally in mice: 540 mg/kg (Thompson, Warren)