4-{[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline

• ChemBase ID: 91859
• Molecular Formular: C17H22N2
• Molecular Mass: 254.36998
• Monoisotopic Mass: 254.17829871
• SMILES: N(c1ccc(cc1)Cc1ccc(cc1)N(C)C)(C)C
• Canonical SMILES: CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C
• InChI: InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3
• InChIKey: JNRLEMMIVRBKJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline
• IUPAC Traditional name: tetra-base
• Synonyms: 4,4-Bis(dimethylamino)diphenylmethane; 4,4′-Methylenebis-N,N-dimethylaniline; N,N,N′,N′-Tetramethyl-4,4′-methylenedianiline; 4,4'-Bis(dimethylaminophenyl)methane; N,N,N',N-Tetramethyl-4,4'-methylenedianiline; N,N,N',N'-Tetramethyl-4,4'-diaminodiphenylmethane; N,N,N',N'-Tetramethyl-p,p'-diaminodiphenylmethane; NSC 36782; NSC 4892; NSC 9029; Tetrabase; Tetramethyldiaminodiphenylmethane; p,p'-Bis(dimethylamino)diphenylmethane; p,p'-Tetramethyldiaminodiphenylmethane; Bis[4-(dimethylamino)phenyl]methane; 4,4'-Methylenebis[N,N-dimethylbenzenamine; 4,4'-Methylenebis[N,N-dimethylaniline; p,p'-Methylenedianiline; 4,4'-(Dimethylamino)diphenylmethane; 4,4'-Bis(dimethylamino)diphenylmethane; Michler's Base; 4,4'-Methylenebis(N,N-dimethylaniline); 4,4'-METHYLENE-bis(N,N-DIMETHYLANILINE); 4,4'-bis(DIMETHYLAMINO)DIPHENYL METHANE; N,N,N′,N′-Tetramethyl-4,4′-diaminodiphenylmethane; N,N,N′,N′-Tetramethyl-4,4′-methylenedianiline; Arnolds base; 4,4′-Methylenebis(N,N-dimethylaniline); 4,4'-亚甲基二(N,N-二甲基苯氨)

Database IDs

• CAS Number: 101-61-1
• EC Number: 202-959-2
• MDL Number: MFCD00008317
• Beilstein Number: 479956
• Merck Index: 146176
• PubChem SID: 162078557; 24896922
• PubChem CID: 7567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9688988
• LogD (pH = 7.4): 4.2763915
• Log P: 4.2811275
• Molar Refractivity: 84.6524 cm^3
• Polarizability: 31.396217 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-88 °C; 85-88°C; 87-89 °C; 88-89 °C(lit.); 88-91°C
• Boiling Point: 155-157°C/0.1mm
• Flash Point: 178 °C; 178°C(352°F); 352.4 °F

Safety Information

• Storage Warning: Carcinogenic
• RTECS: BY2500000; BY5250000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3077; UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 45-50/53; R:45
• Safety Statements: 53-45-60-61; S:28-36/37/39-45-53
• TSCA Listed: 是
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H350-H400-H410-H303; H350-H410
• GHS Precautionary statements: P201-P273-P308 + P313-P501; P281-P273-P312-P308+P313-P405-P501A
• 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
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥90% (HPLC); ≥99.0% (NT); 98%; 98+%
• Grade: puriss.; technical
• Linear Formula: CH2[C6H4N(CH3)2]2
• Empirical Formula (Hill Notation): C17H22N2

DETAILS

MP Biomedicals - 05207491

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M44451

Packaging
5, 100, 500 g in glass bottle

Toronto Research Chemicals - B429780

Bis[4-(dimethylamino)phenyl]methane is an intermediate for dyes. Carcinogen.

REFERENCES

• Edler, L., et al.: Mutat. Res., 405, 227 (1998)
• Andersen, M., et al.: Sci. Total Environ., 274, 3 (1998)
• Clewell, H., et al.: Regul. Toxicol. Pharm., 42, 3 (1998)