naphthalene-1-carbohydrazide

• ChemBase ID: 9933
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(C(=O)NN)c2c(ccc1)cccc2
• Canonical SMILES: NNC(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C11H10N2O/c12-13-11(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H,13,14)
• InChIKey: VMFUMDXVTKTZQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-1-carbohydrazide
• IUPAC Traditional name: naphthalene-1-carbohydrazide
• Synonyms: naphthalene-1-carbohydrazide; 1-Naphthhydrazide; 1-Naphthoylhydrazine; 1-Naphthoic hydrazide; 1-Naphthohydrazide; 1-萘甲酸肼

Database IDs

• CAS Number: 43038-45-5
• EC Number: 256-054-2
• MDL Number: MFCD00016804
• Beilstein Number: 2966714
• PubChem SID: 160973240
• PubChem CID: 72689

CALCULATED PROPERTIES

• Acid pKa: 14.858914
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5160533
• LogD (pH = 7.4): 1.5168767
• Log P: 1.5168872
• Molar Refractivity: 56.0707 cm^3
• Polarizability: 22.128614 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-166°C; 166 - 168°C; 166-168°C
• Hydrophobicity(logP): 1.439

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: 95%; 98%; 98+%