(1S)-1,2,2-triphenylethan-1-amine

• ChemBase ID: 148455
• Molecular Formular: C20H19N
• Molecular Mass: 273.37156
• Monoisotopic Mass: 273.15174961
• SMILES: c1ccc(cc1)[C@H](C(c1ccccc1)c1ccccc1)N
• Canonical SMILES: N[C@@H](C(c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H19N/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,21H2/t20-/m1/s1
• InChIKey: NDCGGZYGIWLSAT-HXUWFJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1,2,2-triphenylethan-1-amine
• IUPAC Traditional name: (1S)-1,2,2-triphenylethanamine
• Synonyms: (S)-(-)-1,2,2-Triphenylethylamine; (S)-(-)-1,2,2-三苯基乙胺

Database IDs

• CAS Number: 352535-04-7
• MDL Number: MFCD03093543
• PubChem SID: 162242630; 24879311
• PubChem CID: 16217121

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6704274
• LogD (pH = 7.4): 2.495289
• Log P: 4.6706924
• Molar Refractivity: 88.1358 cm^3
• Polarizability: 34.805664 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-69 °C(lit.)
• Optical Rotation: [α]20/D -80°, c = 1 in chloroform

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: (C6H5)2CHCH(NH2)C6H5

DETAILS

Sigma Aldrich - 553220

Packaging
500 mg in glass bottle
Legal Information
A Product of Onyx Scientific, U.K.