CAS No.28128-25-8,6-Amino-2-bromopurine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28128-25-8
Name:	6-Amino-2-bromopurine
Article Data:	3

Formula:	C₅H₄BrN₅
Molecular Weight:	214.02
Synonyms:	1H-Purin-6-amine,2-bromo- (9CI);Adenine, 2-bromo- (8CI);2-Bromoadenine;NSC 52757;2-bromo-7H-purin-6-amine;9H-purin-6-amine, 2-bromo-;6-Amino-2-bromopurine;
EINECS:	230-225-1
Density:	2.14 g/cm³
Boiling Point:	673.7 °C at 760 mmHg
Flash Point:	361.2 °C
PSA:	80.48000
LogP:	1.27880

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Specification

The 6-Amino-2-bromopurine, with the CAS registry number 28128-25-8, has the systematic name and IUPAC name of 2-bromo-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 C₅H₄BrN₅.

The characteristics of 6-Amino-2-bromopurine are as followings: (1)ACD/LogP; -0.83; (2)# of Rule of 5 Violations; 0; (3)ACD/LogD (pH 5.5); -0.83; (4)ACD/LogD (pH 7.4); -0.83; (5)ACD/BCF (pH 5.5); 1; (6)ACD/BCF (pH 7.4); 1; (7)ACD/KOC (pH 5.5); 8.42; (8)ACD/KOC (pH 7.4); 8.32; (9)#H bond acceptors; 5; (10)#H bond donors; 3; (11)#Freely Rotating Bonds; 0; (12)Polar Surface Area; 46.84 Å²; (13)Index of Refraction; 1.851; (14)Molar Refractivity; 44.72 cm³; (15)Molar Volume; 100 cm³; (16)Polarizability; 17.73×10^-24cm³; (17)Surface Tension; 117.8 dyne/cm; (18)Density; 2.14 g/cm³; (19)Flash Point; 361.2 °C; (20)Enthalpy of Vaporization; 98.94 kJ/mol; (21)Boiling Point; 673.7 °C at 760 mmHg; (22)Vapour Pressure; 5.23E-18 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1nc(c2c(n1)ncn2)N
(2)InChI: InChI=1/C5H4BrN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
(3)InChIKey: CPZULIHZICLSQT-UHFFFAOYAM