1-decylidene-2-(2,4-dinitrophenyl)hydrazine

• ChemBase ID: 156956
• Molecular Formular: C16H24N4O4
• Molecular Mass: 336.38616
• Monoisotopic Mass: 336.17975527
• SMILES: CCCCCCCCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: CCCCCCCCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C16H24N4O4/c1-2-3-4-5-6-7-8-9-12-17-18-15-11-10-14(19(21)22)13-16(15)20(23)24/h10-13,18H,2-9H2,1H3
• InChIKey: WVTWCMFTBSTXFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-decylidene-2-(2,4-dinitrophenyl)hydrazine
• IUPAC Traditional name: 1-decylidene-2-(2,4-dinitrophenyl)hydrazine
• Synonyms: Caprinaldehyde-2,4-DNPH; Decyl aldehyde-2,4-DNPH; Decanal 2,4-dinitrophenylhydrazone; 十碳酸醛-2,4-DNPH; 羊蜡醛-2,4-DNPH; 癸醛 2,4-二硝基苯腙

Database IDs

• CAS Number: 1527-95-3
• MDL Number: MFCD00391595
• PubChem SID: 162251093
• PubChem CID: 5352211

CALCULATED PROPERTIES

• Acid pKa: 13.063685
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 6.031788
• LogD (pH = 7.4): 6.060533
• Log P: 6.0753875
• Molar Refractivity: 94.9393 cm^3
• Polarizability: 34.36941 Å^3
• Polar Surface Area: 116.03 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 100-104 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.5% (HPLC/CHN)
• Grade: analytical standard, for environmental analysis
• Shelf Life: (limited shelf life, expiry date on the label)
• Feature: standard type calibration
• Linear Formula: CH3(CH2)8CH=NNHC6H3(NO2)2