CAS No.23146-05-6,7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione Suppliers

Products Categories

Pharmaceutical (7)
Organic Chemicals (3)
Others (2)
Materials (2)
Basic Inorganic Chemicals (2)
Reagent (1)

Basic Information

Molecular Structure:
CAS No.:	23146-05-6
Name:	7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Article Data:	8

Formula:	C₉H₁₁BrN₄O₂
Molecular Weight:	287.116
Synonyms:	Theophylline,7-(2-bromoethyl)- (7CI,8CI);7-(2-Bromoethyl)-1,3-dimethylxanthine;7-(2-Bromoethyl)theophylline;7-b-Bromoethyltheophylline;
EINECS:	245-454-2
Density:	1.76g/cm³
Melting Point:	144-144.5 °C(Solv: ligroine (8032-32-4))
Boiling Point:	472.4 °C at 760 mmHg
Flash Point:	239.5 °C
PSA:	61.82000
LogP:	-0.17140

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:17 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 23146-05-6

Specification

The 7-(2-Bromoethyl)theophylline with the cas number 23146-05-6 is also called 1H-Purine-2,6-dione,7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-. The IUPAC name is 7-(2-bromoethyl)-1,3-dimethylpurine-2,6-dione. Its EINECS registry number is 245-454-2. The molecular formula is C₉H₁₁BrN₄O₂.

The properties of the chemical are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.59; (6)ACD/BCF (pH 7.4): 2.59; (7)ACD/KOC (pH 5.5): 68.82; (8)ACD/KOC (pH 7.4): 68.82; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.44 Å²; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 62.73 cm³; (15)Molar Volume: 162.9 cm³; (16)Polarizability: 24.86×10^-24cm³; (17)Surface Tension: 60.3 dyne/cm; (18)Enthalpy of Vaporization: 73.54 kJ/mol; (19)Vapour Pressure: 4.28×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ncn(c1C(=O)N2C)CCBr)C
(2)InChI: InChI=1/C9H11BrN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
(3)InChIKey: ZZWGXGHWFOTKNP-UHFFFAOYAV