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CAS No.: | 70700-30-0 |
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Name: | Adenine phosphate |
Molecular Structure: | |
Formula: | C5H8N5O4P |
Molecular Weight: | 233.12 |
Synonyms: | 6-Aminopurine phosphate;Vitamin B4; |
EINECS: | 257-702-7 |
Melting Point: | 261-263oC |
Boiling Point: | 553.5 °C at 760 mmHg |
Flash Point: | 322.7 °C |
Appearance: | white crystalline powder. |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 36 |
PSA: | 168.05000 |
LogP: | -0.41230 |
The 6-Aminopurine phosphate, with CAS registry number 70700-30-0, belongs to the following product categories: (1)Pharmaceutical Intermediates; (2)Purine. It has the systematic name of 7H-purin-6-amine phosphate (1:1). This chemical is harmful if swallowed. When use it, wear suitable protective clothing. The main use of this chemical is for bioresearch and pharmaceutical analysis.
Physical properties of 6-Aminopurine phosphate: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 46.84 Å2; (7)Flash Point: 322.7 °C; (8)Enthalpy of Vaporization: 83.43 kJ/mol; (9)Boiling Point: 553.5 °C at 760 mmHg; (10)Vapour Pressure: 2.71E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)O.n1c(c2c(nc1)ncn2)N
(2)InChI: InChI=1/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)
(3)InChIKey: CCHNOBQMQBSRHQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)
(5)Std. InChIKey: CCHNOBQMQBSRHQ-UHFFFAOYSA-N