Ethanol, 2-((6-amino-1H-purin-8-yl)amino)- supplier

Name
8-(HYDROXYETHYLAMINO)-ADENINE
EINECS
CAS No. 66813-29-4
Density 1.655 g/cm³
Solubility
Melting Point
Formula C₇H₁₀N₆O
Boiling Point 533.4 °C at 760 mmHg
Molecular Weight 194.196
Flash Point 276.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanol,2-[(6-amino-1H-purin-8-yl)amino]-;Etaden;2-[(6-amino-7H-purin-8-yl)amino]ethanol;Ethaden;
PSA 112.74000
LogP -0.00650

Ethanol, 2-((6-amino-1H-purin-8-yl)amino)- Specification

The CAS registry number of Ethanol, 2-((6-amino-1H-purin-8-yl)amino)- is 66813-29-4. This chemical is also named as 8-(Hydroxyethylamino)-adenine. In addition, its molecular formula is C₇H₁₀N₆O and molecular weight is 194.19. Its systematic name and IUPAC name are the same which is called 2-[(6-amino-7H-purin-8-yl)amino]ethanol.

Physical properties about Ethanol, 2-((6-amino-1H-purin-8-yl)amino)- are: (1)ACD/LogP: -1.65; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.859; (11)Molar Refractivity: 52.81 cm³; (12)Molar Volume: 117.2 cm³; (13)Surface Tension: 127.8 dyne/cm; (14)Density: 1.655 g/cm³; (15)Flash Point: 276.4 °C; (16)Enthalpy of Vaporization: 85.19 kJ/mol; (17)Boiling Point: 533.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1nc(nc1c(nc2)N)NCCO
(2)InChI: InChI=1/C7H10N6O/c8-5-4-6(11-3-10-5)13-7(12-4)9-1-2-14/h3,14H,1-2H2,(H4,8,9,10,11,12,13)
(3)InChIKey: CRWIVQWPUFWSCJ-UHFFFAOYAC

Product Name

8-(HYDROXYETHYLAMINO)-ADENINE

Ethanol, 2-((6-amino-1H-purin-8-yl)amino)- Specification

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