3-amino-4-hydroxybenzohydrazide

• ChemBase ID: 295208
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: c1cc(c(cc1C(=O)NN)N)O
• Canonical SMILES: NNC(=O)c1ccc(c(c1)N)O
• InChI: InChI=1S/C7H9N3O2/c8-5-3-4(7(12)10-9)1-2-6(5)11/h1-3,11H,8-9H2,(H,10,12)
• InChIKey: KNKNIBYXWQUDIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-hydroxybenzohydrazide
• IUPAC Traditional name: 3-amino-4-hydroxybenzohydrazide
• Synonyms: 3-Amino-4-hydroxybenzhydrazide; 3-amino-4-hydroxybenzohydrazide; 3-氨基-4-羟基苯酰肼

Database IDs

• CAS Number: 7450-57-9
• EC Number: 000-000-0
• MDL Number: MFCD00017068
• Beilstein Number: 6503217
• PubChem SID: 180680739
• PubChem CID: 585879

CALCULATED PROPERTIES

• Acid pKa: 9.20792
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.6084674
• LogD (pH = 7.4): -0.61182517
• Log P: -0.60508084
• Molar Refractivity: 46.3018 cm^3
• Polarizability: 16.37525 Å^3
• Polar Surface Area: 101.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250-252°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%