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Home> Encyclopedia >   /  Sulphate  /  Pharmaceutical Intermediates  /  Others  /  Sulfide  /  Inorganic Acids
9H-Purine,6-(1-piperidinyl)- structure
9H-Purine,6-(1-piperidinyl)- structure

9H-Purine,6-(1-piperidinyl)-

Iupac Name:magnesium;sulfate;heptahydrate
CAS No.:10034-99-8
Molecular Weight:120.3676
1. Names and Identifiers
1.1 Name
9H-Purine,6-(1-piperidinyl)-
1.2 Synonyms

6-PIPERIDINO-1-PURINE 6-PIPERIDINOPURINE 9H-Purine, 6-(1-piperidinyl)-

1.3 CAS No.
10034-99-8
1.4 CID
24843
1.5 Molecular Formula
C16H12O2 (isomer)
1.6 Inchi
InChI=1/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2
1.7 InChkey
CSNNHWWHGAXBCP-UHFFFAOYSA-L
1.8 Canonical Smiles
O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Mg+2]
2. 3D Conformer
3. Properties
3.1 Density
1.01
3.2 Melting Point
1124℃
3.3 Boiling Point
466.7°C at 760 mmHg
3.4 Vapour
3.35E-05mmHg at 25°C
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S24/25
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Computational chemical data
  • Molecular Weight:120.3676g/mol
  • Molecular Formula:C16H12O2
  • Exact Mass:119.936771
  • Monoisotopic Mass:119.936771
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:88.6
  • Heavy Atom Count:6
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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