7-(2-CHLOROETHYL)THEOPHYLLINE

Catalog Number	ACM5878615
CAS Number	5878-61-5
Synonyms	Benaphyllin
IUPAC Name	7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
Molecular Weight	242.66
Molecular Formula	C9H11ClN4O2
Canonical SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
InChI	InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
InChI Key	QCIARNIKNKKHFH-UHFFFAOYSA-N
Boiling Point	459.8ºC at 760 mmHg
Melting Point	122-127 °C
Flash Point	231.9ºC
Purity	98%+
Density	1.51g/cm³
Appearance	White solid
Complexity	325
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
EC Number	227-553-2
Exact Mass	242.0570533
Hazard Statements	Xn
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	242.0570533
PhysicalState	Crystalline powder
Rotatable Bond Count	2
Topological Polar Surface Area	58.4 Ų

Custom Q&A

What is the chemical formula of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The chemical formula of 7-(2-CHLOROETHYL)THEOPHYLLINE is C9H11ClN4O2.

What is the molecular weight of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The molecular weight of 7-(2-CHLOROETHYL)THEOPHYLLINE is 242.66.

What is the melting point of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The melting point of 7-(2-CHLOROETHYL)THEOPHYLLINE is 122-127 °C.

What is the boiling point of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The predicted boiling point of 7-(2-CHLOROETHYL)THEOPHYLLINE is 459.8±51.0 °C.

In what form does 7-(2-CHLOROETHYL)THEOPHYLLINE exist?

7-(2-CHLOROETHYL)THEOPHYLLINE exists in the form of a Crystalline Powder.

What is the color of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The color of 7-(2-CHLOROETHYL)THEOPHYLLINE is White.

What is the solubility of 7-(2-CHLOROETHYL)THEOPHYLLINE?

7-(2-CHLOROETHYL)THEOPHYLLINE is soluble in DMSO and moderately soluble in ethanol.

What is the hazard code associated with 7-(2-CHLOROETHYL)THEOPHYLLINE?

The hazard code associated with 7-(2-CHLOROETHYL)THEOPHYLLINE is Xn.

What is the primary use of 7-(2-CHLOROETHYL)THEOPHYLLINE?

7-(2-CHLOROETHYL)THEOPHYLLINE is an adenosine receptor antagonist.

What is the definition of 7-(2-CHLOROETHYL)THEOPHYLLINE according to ChEBI?

According to ChEBI, 7-(2-CHLOROETHYL)THEOPHYLLINE is an oxopurine.

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