(2S)-1,1,3-triphenylpropan-2-amine

• ChemBase ID: 139855
• Molecular Formular: C21H21N
• Molecular Mass: 287.39814
• Monoisotopic Mass: 287.16739968
• SMILES: c1ccc(cc1)C[C@@H](C(c1ccccc1)c1ccccc1)N
• Canonical SMILES: N[C@H](C(c1ccccc1)c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C21H21N/c22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16,22H2/t20-/m0/s1
• InChIKey: HPRWGZYKYRRJNU-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1,1,3-triphenylpropan-2-amine
• IUPAC Traditional name: (2S)-1,1,3-triphenylpropan-2-amine
• Synonyms: (S)-(-)-1-Benzyl-2,2-diphenylethylamine; (S)-(-)-1-苄基-2,2-二苯基乙胺

Database IDs

• CAS Number: 233772-38-8
• MDL Number: MFCD03093526
• PubChem SID: 162234103; 24879409
• PubChem CID: 9925949

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9442911
• LogD (pH = 7.4): 2.5658648
• Log P: 4.9593534
• Molar Refractivity: 92.8908 cm^3
• Polarizability: 36.57333 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-79 °C(lit.)
• Optical Rotation: [α]20/D -8°, c = 1 in chloroform

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

Product Information

• Purity: 98%
• Linear Formula: (C6H5)2CHCH(NH2)CH2C6H5

DETAILS

Sigma Aldrich - 554529

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