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Name |
6-Amino-2-bromopurine |
EINECS | 230-225-1 |
CAS No. | 28128-25-8 | Density | 2.14 g/cm3 |
PSA | 80.48000 | LogP | 1.27880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4BrN5 | Boiling Point | 673.7 °C at 760 mmHg |
Molecular Weight | 214.02 | Flash Point | 361.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 3 |
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