2-hydrazinyl-3-methyl-3,4-dihydroquinazolin-4-one

• ChemBase ID: 28486
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: n1(c(nc2c(c1=O)cccc2)NN)C
• Canonical SMILES: NNc1nc2ccccc2c(=O)n1C
• InChI: InChI=1S/C9H10N4O/c1-13-8(14)6-4-2-3-5-7(6)11-9(13)12-10/h2-5H,10H2,1H3,(H,11,12)
• InChIKey: BQDOAXFBKRUNTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-3-methyl-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 2-hydrazinyl-3-methylquinazolin-4-one
• Synonyms: 2-Hydrazino-3-methylquinazolin-4(3H)-one

Database IDs

• CAS Number: 61507-80-0
• MDL Number: MFCD01219687
• PubChem SID: 160991793
• PubChem CID: 376484

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.16016887
• LogD (pH = 7.4): 0.48336592
• Log P: 0.48909533
• Molar Refractivity: 66.0623 cm^3
• Polarizability: 19.39948 Å^3
• Polar Surface Area: 70.72 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 0.7

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%