Product Name

  • Name

    Pinacidil

  • EINECS 262-294-9
  • CAS No. 85371-64-8
  • Article Data2
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 164-165°
  • Formula C13H19N5.H2O
  • Boiling Point 356.7°C at 760 mmHg
  • Molecular Weight 245.327
  • Flash Point 169.5°C
  • Transport Information
  • Appearance Powder.
  • Safety 36
  • Risk Codes 22-36/37
  • Molecular Structure Molecular Structure of 85371-64-8 (Pinacidil)
  • Hazard Symbols HarmfulXn
  • Synonyms (+/-)-N-Cyano-N-4-pyridinyl-N-(1,2,2-trimethylpropyl)guanidine;Pinacidil;(±)-N-Cyano-N’-4-pyridinyl-N’’-(1，2，2-trimethylpropyl)guanidine monohydrate;Hndac;Guanidine, N-cyano-N-4-pyridinyl-N-(1,2,2-trimethylpropyl)-, monohydrate;Pinacidil Hydrate
  • PSA 73.10000
  • LogP 2.94578

Pinacidil Specification

The CAS register number of Pinacidil is 85371-64-8. It also can be called as Guanidine, N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-, monohydrate and the systematic name about this chemical is 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine hydrate (1:1). The molecular formula about this chemical is C13H19N5.H2O and the molecular weight is 263.34.

Physical properties about Pinacidil are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 0.53; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 12.37; (6)ACD/KOC (pH 5.5): 11.18; (7)ACD/KOC (pH 7.4): 195.84; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.52 Å2; (12)Flash Point: 169.5 °C; (13)Enthalpy of Vaporization: 60.2 kJ/mol; (14)Boiling Point: 356.7 °C at 760 mmHg; (15)Vapour Pressure: 2.87E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CNC(=N/C(C)C(C)(C)C)\Nc1ccncc1.O
(2)InChI: InChI=1/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2
(3)InChIKey: AFJCNBBHEVLGCZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2
(5)Std. InChIKey: AFJCNBBHEVLGCZ-UHFFFAOYSA-N

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