4-(dimethylamino)benzohydrazide

• ChemBase ID: 27137
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: C(=O)(c1ccc(N(C)C)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)N(C)C
• InChI: InChI=1S/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
• InChIKey: HITIGLAGJBMISF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethylamino)benzohydrazide
• IUPAC Traditional name: 4-(dimethylamino)benzohydrazide
• Synonyms: 4-(Dimethylamino)benzohydrazide; 4-(dimethylamino)benzene-1-carbohydrazide; 4-Dimethylaminobenzhydrazide; 4-二甲氨基苯甲酰肼

Database IDs

• CAS Number: 19353-92-5
• EC Number: 242-985-1
• MDL Number: MFCD00014761
• Beilstein Number: 2210856
• PubChem SID: 160990444
• PubChem CID: 88019

CALCULATED PROPERTIES

• Acid pKa: 15.163413
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6311333
• LogD (pH = 7.4): 0.6353997
• Log P: 0.6354543
• Molar Refractivity: 54.0491 cm^3
• Polarizability: 19.406591 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174-175°C; 174-175°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 97%; 98%; 98+%