CAS No.20198-19-0,2-AMINO-3H-QUINAZOLIN-4-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20198-19-0
Name:	2-AMINO-3H-QUINAZOLIN-4-ONE
Article Data:	3

Formula:	C₈H₇N₃O
Molecular Weight:	161.163
Synonyms:	2-Amino-3H-quinazolin-4-one;
Density:	1.49 g/cm³
Melting Point:	314-315℃
Boiling Point:	358.8 °C at 760 mmHg
Flash Point:	170.8 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	71.77000
LogP:	1.08650

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Specification

The 2-AMINO-3H-QUINAZOLIN-4-ONE, with the CAS registry number 20198-19-0, is also known as 4(3H)-Quinazolinone, 2-amino-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₈H₇N₃O and molecular weight is 161.16. What's more, its systematic name is called 2-Aminoquinazolin-4(1H)-one.

Physical properties about 2-AMINO-3H-QUINAZOLIN-4-ONE are: (1) ACD/LogP: 0.60; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.59; (4) ACD/LogD (pH 7.4): 0.6; (5) ACD/BCF (pH 5.5): 1.63; (6) ACD/BCF (pH 7.4): 1.68; (7) ACD/KOC (pH 5.5): 48.84; (8) ACD/KOC (pH 7.4): 50.37; (9) #H bond acceptors: 4; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 35.91 Å²; (13) Index of Refraction: 1.734; (14) Molar Refractivity: 43.18 cm³; (15) Molar Volume: 107.7 cm³; (16) Surface Tension: 65 dyne/cm; (17) Density: 1.49 g/cm³; (18) Flash Point: 170.8 °C; (19) Enthalpy of Vaporization: 60.43 kJ/mol; (20) Boiling Point: 358.8 °C at 760 mmHg; (21) Vapour Pressure: 2.48E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/N=C(\Nc1c2cccc1)N
(2) InChI: InChI=1/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)
(3) InChIKey: SDTFBAXSPXZDKC-UHFFFAOYAE