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769951-32-8

Basic Information
CAS No.: 769951-32-8
Name: 7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate
Molecular Structure:
Molecular Structure of 769951-32-8 (7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate)
Formula: C6H8N4O4S
Molecular Weight: 232.22
Synonyms: 4-Amino-7H-pyrrolo[2,3-d]pyrimidine sulfate;1H-Pyrrolo[2,3-d]pyrimidin-4-amine sulfate;7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulfate (1:1);1H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate, 7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate;4-Amino-7H-pyrrolo[2,3-d]pyrimidine sulphate;
Hazard Symbols: IrritantXi
PSA: 150.57000
LogP: 1.54930
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Specification

The 7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate, with the CAS registry number 769951-32-8, is also called 4-Amino-7H-pyrrolo[2,3-d]pyrimidine hydrogen sulfate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H8N4O4S.

The characteristics of 7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate are as followings: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 8; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 0; (5)Polar Surface Area: 94.93Å2.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)O.n1c(c2c(nc1)ncc2)N
(2)InChI: InChI=1/C6H6N4.H2O4S/c7-5-4-1-2-8-6(4)10-3-9-5;1-5(2,3)4/h1-3H,(H3,7,8,9,10);(H2,1,2,3,4)
(3)InChIKey: ZVFLCRGXDSPVKK-UHFFFAOYAA