4-[(diphenylhydrazin-1-ylidene)methyl]-N,N-diethylaniline

• ChemBase ID: 158543
• Molecular Formular: C23H25N3
• Molecular Mass: 343.4647
• Monoisotopic Mass: 343.20484782
• SMILES: CCN(CC)c1ccc(cc1)/C=N/N(c1ccccc1)c1ccccc1
• Canonical SMILES: CCN(c1ccc(cc1)/C=N/N(c1ccccc1)c1ccccc1)CC
• InChI: InChI=1S/C23H25N3/c1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3
• InChIKey: YGBCLRRWZQSURU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(diphenylhydrazin-1-ylidene)methyl]-N,N-diethylaniline
• IUPAC Traditional name: 4-[(diphenylhydrazin-1-ylidene)methyl]-N,N-diethylaniline
• Synonyms: 4-(Diethylamino)benzaldehyde diphenylhydrazone; 4-(二乙氨基)苯甲醛二苯腙

Database IDs

• CAS Number: 68189-23-1
• EC Number: 269-181-3
• MDL Number: MFCD00143309
• PubChem SID: 24869974; 162252679
• PubChem CID: 9580366

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.237797
• LogD (pH = 7.4): 4.927946
• Log P: 6.3734
• Molar Refractivity: 121.8884 cm^3
• Polarizability: 41.784687 Å^3
• Polar Surface Area: 18.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 92-94 °C(lit.)

Safety Information

• RTECS: CU5612900
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: (C2H5)2NC6H4CH=NN(C6H5)2

DETAILS

Sigma Aldrich - 462438

Packaging
1 g in glass bottle