dibenzylamine

• ChemBase ID: 89701
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: N(Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: N(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
• InChIKey: BWLUMTFWVZZZND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibenzylamine
• IUPAC Traditional name: dibenzyl amine
• Synonyms: DIBENZYLAMINE; Dibenzylamine 98%; Dibenzylamine; 二苄胺

Database IDs

• CAS Number: 103-49-1
• EC Number: 203-117-7
• MDL Number: MFCD00004770
• Beilstein Number: 909664
• Merck Index: 143011
• PubChem SID: 24893752; 162076564
• PubChem CID: 7656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1655053
• LogD (pH = 7.4): 1.5395616
• Log P: 3.2560678
• Molar Refractivity: 63.9186 cm^3
• Polarizability: 25.242508 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -26 °C(lit.); -26°C; -26°C
• Boiling Point: 160-163°C/10mm; 300 °C(lit.); 300°C
• Flash Point: 143 °C; 143°C(289°F); 289.4 °F; 68°C
• Density: 1.026; 1.026 g/mL at 25 °C(lit.)
• Refractive Index: 1.5745; n20/D 1.574; n20/D 1.574(lit.)

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34; 22-36/38
• Safety Statements: 26; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H302-H315-H318
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95% (GC); 95+%; 97%; 98%
• Grade: technical
• Linear Formula: (C6H5CH2)2NH

DETAILS

MP Biomedicals - 05203959

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D34108

Packaging
5, 100, 500 g in glass bottle

REFERENCES

• Can be alkylated with alkyl halides in the presence of anhydrous K₂CO₃ in diglyme. The resulting tertiary amines undergo hydrogenolysis, for example by catalytic transfer using Ammonium formate, A10699, to give primary amines. This sequence thus provides a convenient and milder alternative to the classical Gabriel synthesis: J. Org. Chem., 56, 457 (1991).