Phthalazine,1-hydrazinyl-4-(4-pyridinylmethyl)- supplier

Name
picodralazine
EINECS 241-684-2
CAS No. 17692-43-2
Density 1.327 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃N₅
Boiling Point 592.4 °C at 760 mmHg
Molecular Weight 251.291
Flash Point 312.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms picodralazine;Picodralazina;Picodralazinum;Picodralazinum [INN-Latin];1-hydrazinyl-4-(pyridin-4-ylmethyl)phthalazine;
PSA 76.72000
LogP 2.67450

Phthalazine,1-hydrazinyl-4-(4-pyridinylmethyl)- Specification

The Phthalazine,1-hydrazinyl-4-(4-pyridinylmethyl)-, with CAS registry number of 17692-43-2, is also known as picodralazine. Its IUPAC name is [4-(pyridin-4-ylmethyl)phthalazin-1-yl]hydrazine. Its molecular formula is C₁₄H₁₃N₅, and molecular weight is 251.2865.

Physical properties about this chemical are: (1) ACD/LogP: 1.50; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.07; (4) ACD/LogD (pH 7.4): 1.49; (5) ACD/BCF (pH 5.5): 3.02; (6) ACD/BCF (pH 7.4): 7.93; (7) ACD/KOC (pH 5.5): 58.09; (8) ACD/KOC (pH 7.4): 152.45; (9) # H bond acceptors: 5; (10) # H bond donors: 3; (11) # Freely Rotating Bonds: 3; (12) Polar Surface Area: 45.15 Å²; (13) Index of Refraction: 1.738; (14) Molar Refractivity: 76.19 cm³; (15) Molar Volume: 189.2 cm³; (16) Polarizability: 30.2 10-24cm³; (17) Surface Tension: 72.7 dyne/cm; (18) Density: 1.327 g/cm³; (19) Flash Point: 312.1 °C; (20) Enthalpy of Vaporization: 88.34 kJ/mol; (21) Boiling Point: 592.4 °C at 760 mmHg; (22) Vapour Pressure: 5.25E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2nc(c1ccccc1c2Cc3ccncc3)NN
(2) InChI: InChI=1/C14H13N5/c15-17-14-12-4-2-1-3-11(12)13(18-19-14)9-10-5-7-16-8-6-10/h1-8H,9,15H2,(H,17,19)
(3) InChIKey: KCASCYQNVLPVDP-UHFFFAOYAE

Product Name

picodralazine

Phthalazine,1-hydrazinyl-4-(4-pyridinylmethyl)- Specification

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