b-Alanine, N-(6-chloro-3-pyridazinyl)- supplier

Name
3-(6-CHLORO-PYRIDAZIN-3-YL-AMINO)-PROPIONIC ACID
EINECS
CAS No. 27255-10-3
Article Data3
CAS DataBase
Density 1.494 g/cm³
Solubility
Melting Point 217-218 °C (decomp)
Formula C₇H₈ClN₃O₂
Boiling Point 539.9 °C at 760 mmHg
Molecular Weight 201.6103
Flash Point 280.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-(6-Chloropyridazin-3-yl)-β-alanine;3-[(6-Chloropyridazin-3-yl)amino]propanoic acid;
PSA 75.11000
LogP 1.08960

b-Alanine, N-(6-chloro-3-pyridazinyl)- Specification

The b-Alanine, N-(6-chloro-3-pyridazinyl)-, with the CAS registry number 27255-10-3, is also known as 3-[(6-Chloropyridazin-3-yl)amino]propanoic acid. This chemical's molecular formula is C₇H₈ClN₃O₂and molecular weight is 201.6103. What's more, its systematic name is N-(6-chloropyridazin-3-yl)-β-alanine.

Physical properties about the b-Alanine, N-(6-chloro-3-pyridazinyl)- are: (1) ACD/LogP: 0.26; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 5; (8) #H bond donors: 2; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 75.11 Å²; (11) Index of Refraction: 1.626; (12) Molar Refractivity: 47.77 cm³; (13) Molar Volume: 134.9 cm³; (14) Polarizability: 18.93×10^-24cm³; (15) Surface Tension: 71 dyne/cm; (16) Density: 1.494 g/cm³; (17) Flash Point: 280.3 °C; (18) Enthalpy of Vaporization: 86.03 kJ/mol; (19) Boiling Point: 539.9 °C at 760 mmHg; (20) Vapour Pressure: 1.73E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)CCNc1ccc(Cl)nn1
(2) InChI: InChI=1/C7H8ClN3O2/c8-5-1-2-6(11-10-5)9-4-3-7(12)13/h1-2H,3-4H2,(H,9,11)(H,12,13)
(3) InChIKey: OMLBYAICXYTGDX-UHFFFAOYAR

Product Name

3-(6-CHLORO-PYRIDAZIN-3-YL-AMINO)-PROPIONIC ACID

b-Alanine, N-(6-chloro-3-pyridazinyl)- Specification

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