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| CAS No.: | 85371-64-8 |
|---|---|
| Name: | Pinacidil |
| Molecular Structure: | |
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| Formula: | C13H19N5.H2O |
| Molecular Weight: | 245.327 |
| 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 |
| EINECS: | 262-294-9 |
| Melting Point: | 164-165° |
| Boiling Point: | 356.7°C at 760 mmHg |
| Flash Point: | 169.5°C |
| Appearance: | Powder. |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37 |
| Safety: | 36 |
| PSA: | 73.10000 |
| LogP: | 2.94578 |
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- Total:36 Page 1 of 1 1
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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