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28128-30-5

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Basic Information
CAS No.: 28128-30-5
Name: 1H-Purin-6-amine, 2-methoxy-
Article Data: 6
Molecular Structure:
Molecular Structure of 28128-30-5 (1H-Purin-6-amine, 2-methoxy-)
Formula: C6H7N5O
Molecular Weight: 165.154
Synonyms: 1H-Purin-6-amine,2-methoxy- (9CI);Adenine, 2-methoxy- (6CI,7CI,8CI);2-Methoxyadenine;NSC22746;2-methoxy-7H-purin-6-amine;
Density: 1.531 g/cm3
Boiling Point: 573.5 °C at 760 mmHg
Flash Point: 300.7 °C
PSA: 89.71000
LogP: 0.52490
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Specification

The 9H-Purin-6-amine,2-methoxy-, with the CAS registry number 28128-30-5, has the systematic name and IUPAC name of 2-methoxy-7H-purin-6-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H7N5O.

The characteristics of 9H-Purin-6-amine,2-methoxy- are as followings: (1)ACD/LogP: -1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.08; (8)ACD/KOC (pH 7.4): 3.38; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.07 Å2; (13)Index of Refraction: 1.745; (14)Molar Refractivity: 43.71 cm3; (15)Molar Volume: 107.8 cm3; (16)Polarizability: 17.33×10-24cm3; (17)Surface Tension: 93.9 dyne/cm; (18)Density: 1.531 g/cm3; (19)Flash Point: 300.7 °C; (20)Enthalpy of Vaporization: 85.95 kJ/mol; (21)Boiling Point: 573.5 °C at 760 mmHg; (22)Vapour Pressure: 3.69E-13 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c(c2c(nc1OC)ncn2)N
(2)InChI: InChI=1/C6H7N5O/c1-12-6-10-4(7)3-5(11-6)9-2-8-3/h2H,1H3,(H3,7,8,9,10,11)
(3)InChIKey: TUDKBZAMOFJOSO-UHFFFAOYAR