2-(naphthalen-1-yl)acetohydrazide

• ChemBase ID: 21652
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(c2c(ccc1)cccc2)CC(=O)NN
• Canonical SMILES: NNC(=O)Cc1cccc2c1cccc2
• InChI: InChI=1S/C12H12N2O/c13-14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,13H2,(H,14,15)
• InChIKey: FLHXVKZDKJAVMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(naphthalen-1-yl)acetohydrazide
• Synonyms: α-NAPHTHYLACETHYDRAZIDE; 2-(1-Naphthyl)acetohydrazide; 1-Naphthaleneacethydrazide; 1-萘乙酰肼 98+%

Database IDs

• CAS Number: 34800-90-3; 86-87-3
• EC Number: 201-705-8
• MDL Number: MFCD00014318
• Beilstein Number: 2452111
• PubChem SID: 160984959
• PubChem CID: 253230

CALCULATED PROPERTIES

• Acid pKa: 13.160953
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4952797
• LogD (pH = 7.4): 1.4970295
• Log P: 1.4970526
• Molar Refractivity: 60.1221 cm^3
• Polarizability: 24.197609 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166-170°C; 169 - 171°C
• Hydrophobicity(logP): 1.318

Safety Information

• Storage Warning: IRRITANT
• RTECS: QJ0875000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• Risk Statements: 36/37/38; R:22-36
• Safety Statements: 26-37; S:26-36/37/39
• 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+%

DETAILS

MP Biomedicals - 05221200

MP Biomedicals Rare Chemical collection