2,2-diphenylethan-1-amine

• ChemBase ID: 76212
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: NCC(c1ccccc1)c1ccccc1
• Canonical SMILES: NCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2
• InChIKey: RXMTUVIKZRXSSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3963-62-0
• EC Number: 223-565-7
• MDL Number: MFCD00008143
• PubChem SID: 24893615; 162041120
• PubChem CID: 77575

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.11871757
• LogD (pH = 7.4): 0.6495099
• Log P: 2.8864522
• Molar Refractivity: 63.853 cm^3
• Polarizability: 25.161785 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48-49 °C(lit.)
• Flash Point: 113 °C; 235.4 °F

Safety Information

• 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: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: rat ... Htr2a(29595)

Product Information

• Purity: 95+%; 96%
• Linear Formula: (C6H5)2CHCH2NH2

DETAILS

MP Biomedicals - 05207475

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D206709

Packaging
5, 25 g in glass bottle