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61507-80-0

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Basic Information
CAS No.: 61507-80-0
Name: 2-HYDRAZINO-3-METHYLQUINAZOLIN-4(3H)-ONE
Article Data: 7
Molecular Structure:
Molecular Structure of 61507-80-0 (2-HYDRAZINO-3-METHYLQUINAZOLIN-4(3H)-ONE)
Formula: C9H10N4O
Molecular Weight: 190.205
Synonyms: 2,4(1H,3H)-Quinazolinedione,3-methyl-, 2-hydrazone (9CI);2-Hydrazino-3-methyl-4-quinazolinone;NSC 657432;
Density: 1.42 g/cm3
Boiling Point: 365.5 °C at 760 mmHg
Flash Point: 174.9 °C
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Specification

The 4(3H)-Quinazolinone,2-hydrazinyl-3-methyl-, with the CAS registry number 61507-80-0, is also known as 2-Hydrazinyl-3-methylquinazolin-4(3H)-one.This chemical's molecular formula is C9H10N4O and molecular weight is 190.2019. What's more, its IUPAC name is called 2-Hydrazinyl-3-methylquinazolin-4-one.

Physical properties about 4(3H)-Quinazolinone,2-hydrazinyl-3-methyl- are: (1)# of Rule of 5 Violations: 0; (2)ACD/LogD (pH 5.5): -0.22; (3)ACD/LogD (pH 7.4): -0.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.11; (7)ACD/KOC (pH 7.4): 18.14; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.15 Å2; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 51.56 cm3; (14)Molar Volume: 133.8 cm3; (15)Surface Tension: 59.1 dyne/cm; (16)Density: 1.42 g/cm3; (17)Flash Point: 174.9 °C; (18)Enthalpy of Vaporization: 61.18 kJ/mol; (19)Boiling Point: 365.5 °C at 760 mmHg; (20)Vapour Pressure: 1.56E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2c(\N=C(/N1C)NN)cccc2
(2) InChI: InChI=1/C9H10N4O/c1-13-8(14)6-4-2-3-5-7(6)11-9(13)12-10/h2-5H,10H2,1H3,(H,11,12)
(3) InChIKey: BQDOAXFBKRUNTF-UHFFFAOYAQ