1,2-diphenylethan-1-amine

• ChemBase ID: 107069
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: NC(Cc1ccccc1)c1ccccc1
• Canonical SMILES: NC(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
• InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diphenylethan-1-amine
• IUPAC Traditional name: 1,2-diphenyl-ethylamine
• Synonyms: 1-AMINO-1,2-DIPHENYL ETHANE; 1,2-diphenylethanamine; 1,2-Diphenylethylamine; 1,2-二苯基乙胺

Database IDs

• CAS Number: 25611-78-3
• EC Number: 247-126-4
• MDL Number: MFCD00008063
• PubChem SID: 162094265; 24848307
• PubChem CID: 26482

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.16780753
• LogD (pH = 7.4): 0.94900167
• Log P: 3.1719155
• Molar Refractivity: 63.5692 cm^3
• Polarizability: 25.16173 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170 - 185°C
• Boiling Point: 310-311 °C/750 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.02 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.58(lit.)
• Hydrophobicity(logP): 2.971

Safety Information

• RTECS: SI2299000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%
• Linear Formula: C6H5CH2CH(C6H5)NH2

DETAILS

MP Biomedicals - 05202433

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 137022

Packaging
5, 25 g in glass bottle