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70700-30-0

Basic Information
CAS No.: 70700-30-0
Name: Adenine phosphate
Molecular Structure:
Molecular Structure of 70700-30-0 (Adenine phosphate)
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
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  • 99% up by HPLC Adenine phosphate salt(1:1) 70700-30-0

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    70700-30-0

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  • Adenine phosphate;VitaMin B4

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    70700-30-0

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  • adenine phosphate

  • Casno:

    70700-30-0

    adenine phosphate

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Specification

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