4-Chloro-N-methyl-1-phthalazinamine supplier

Name
4-Chloro-N-methyl-1-phthalazinamine
EINECS
CAS No. 13580-85-3
Article Data3
CAS DataBase
Density 1.369 g/cm³
Solubility
Melting Point
Formula C₉H₈ClN₃
Boiling Point 425.6 °C at 760 mmHg
Molecular Weight 193.6329
Flash Point 211.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phthalazinamine, 4-chloro-N-methyl-;
PSA 37.81000
LogP 2.39790

4-Chloro-N-methyl-1-phthalazinamine Specification

The 4-Chloro-N-methyl-1-phthalazinamine, with the CAS registry number of 13580-85-3, is also known as 1-Phthalazinamine, 4-chloro-N-methyl-. Its molecular formula is C₉H₈ClN₃ and molecular weight is 193.6329. What's more, its systematic name is 4-Chloro-N-methylphthalazin-1-amine.

Physical properties about the 4-Chloro-N-methyl-1-phthalazinamine are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 19.24; (7)ACD/KOC (pH 5.5): 255.18; (8)ACD/KOC (pH 7.4): 288.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 54.78 cm³; (15)Molar Volume: 141.4 cm³; (16)Surface Tension: 60.3 dyne/cm; (17)Density: 1.369 g/cm³; (18)Flash Point: 211.2 °C; (19)Enthalpy of Vaporization: 68.03 kJ/mol; (20)Boiling Point: 425.6 °C at 760 mmHg; (21)Vapour Pressure: 1.89E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nnc(c1c2cccc1)NC
(2) InChI: InChI=1/C9H8ClN3/c1-11-9-7-5-3-2-4-6(7)8(10)12-13-9/h2-5H,1H3,(H,11,13)
(3) InChIKey: IVEYGGNOVQXDER-UHFFFAOYAL

Product Name

4-Chloro-N-methyl-1-phthalazinamine

4-Chloro-N-methyl-1-phthalazinamine Specification

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