(2R)-2-amino-1,1-diphenylpropan-1-ol

• ChemBase ID: 140108
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: C[C@H](C(c1ccccc1)(c1ccccc1)O)N
• Canonical SMILES: C[C@H](C(c1ccccc1)(c1ccccc1)O)N
• InChI: InChI=1S/C15H17NO/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,17H,16H2,1H3/t12-/m1/s1
• InChIKey: FMBMNSFOFOAIMZ-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-1,1-diphenylpropan-1-ol
• IUPAC Traditional name: (2R)-2-amino-1,1-diphenylpropan-1-ol
• Synonyms: (R)-(+)-2-Amino-1,1-diphenyl-1-propanol; (R)-(+)-2-氨基-1,1-二苯基-1-丙醇

Database IDs

• CAS Number: 78603-93-7
• MDL Number: MFCD02677967
• PubChem SID: 162234352; 24874691
• PubChem CID: 681927

CALCULATED PROPERTIES

• Acid pKa: 12.89562
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.56829673
• LogD (pH = 7.4): 0.52976304
• Log P: 2.3947766
• Molar Refractivity: 69.6159 cm^3
• Polarizability: 27.63399 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-105 °C(lit.); 102-105°C
• Optical Rotation: [α]20/D +90°, c = 1 in chloroform

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C15H17NO

DETAILS

Sigma Aldrich - 549460

Packaging
1, 5 g in glass bottle
Legal Information
Product of Onyx Scientific, U.K