4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline

• ChemBase ID: 105910
• Molecular Formular: C17H21N3
• Molecular Mass: 267.36874
• Monoisotopic Mass: 267.17354769
• SMILES: CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C
• Canonical SMILES: CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C
• InChI: InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3
• InChIKey: JPIYZTWMUGTEHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
• IUPAC Traditional name: auramine; 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
• Synonyms: 4,4′-Dimethylaminobenzophenone imine; Solvent Yellow 34; Auramine; C.I. 41000; 4,4'-(Imidocarbonyl)Bis(N,N'-Dimethyl-Amine) Monohydrochloride; AURAMINE O; N-{4-[[4-(dimethylamino)phenyl](imino)methyl]phenyl}-N,N-dimethylamine; 4,4'-二甲基氨基二苯甲酮亚胺; 溶剂黄 34; 碱性嫩黄

Database IDs

• CAS Number: 2465-27-2; 492-80-8
• EC Number: 207-762-5; 219-567-2
• MDL Number: MFCD00036224
• Beilstein Number: 2215338
• PubChem SID: 162088991
• PubChem CID: 10298
• Color Index Number: 41000B

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.49521518
• LogD (pH = 7.4): 2.050234
• Log P: 3.661348
• Molar Refractivity: 97.9627 cm^3
• Polarizability: 32.154728 Å^3
• Polar Surface Area: 30.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): 3.416

Safety Information

• Storage Condition: 2-8°C
• RTECS: BY3500000; BY3675000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 22-36-40-51/53; R:45-36/37/38
• Safety Statements: 36/37-61; S:28-29-36/37/39-45-53
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319-H351-H411
• GHS Precautionary statements: P273-P281-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: ≥97.0% (HPLC); 95%
• Grade: analytical standard
• Empirical Formula (Hill Notation): C17H21N3

DETAILS

MP Biomedicals - 02195064

C.I. 41000
Fluorescent stain for acid resistant bacteria in sputum or paraffin

REFERENCES

• Stain Technol. , 7 : 70, (1931).
• SUSPECTED CARCINOGEN