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42383-61-9

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Basic Information
CAS No.: 42383-61-9
Name: Imidazol-2-ylamine sulphate
Article Data: 2
Molecular Structure:
Molecular Structure of 42383-61-9 (Imidazol-2-ylamine sulphate)
Formula: C3H7N3O4S
Molecular Weight: 181.172
Synonyms: 2-Aminoimidazole sulfate;1H-Imidazol-2-amine sulfate (1:1);1H-imidazol-2-amine; sulfuric acid;
EINECS: 255-791-7
Boiling Point: 313.1 °C at 760 mmHg
Flash Point: 168.9 °C
PSA: 137.68000
LogP: 1.00110
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Specification

The Imidazol-2-ylamine sulphate, with the CAS registry number 42383-61-9, is also known as 2-Aminoimidazole sulfate. Its EINECS number is 255-791-7. This chemical's molecular formula is C3H7N3O4S and molecular weight is 181.17. What's more, its systematic name is 1H-imidazol-2-amine sulfate (1:1). 

Physical properties of Imidazol-2-ylamine sulphate are: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.04; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 21.06 Å2; (13)Flash Point: 168.9 °C; (14)Enthalpy of Vaporization: 55.42 kJ/mol; (15)Boiling Point: 313.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000506 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.n1ccnc1N
(2)InChI: InChI=1S/C3H5N3.H2O4S/c4-3-5-1-2-6-3;1-5(2,3)4/h1-2H,(H3,4,5,6);(H2,1,2,3,4)
(3)InChIKey: LEUJVEZIEALICS-UHFFFAOYSA-N