(2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol hydrochloride

• ChemBase ID: 297741
• Molecular Formular: C17H22ClNO
• Molecular Mass: 291.81568
• Monoisotopic Mass: 291.13899201
• SMILES: CC(C)[C@H](C(c1ccccc1)(c1ccccc1)O)N.Cl
• Canonical SMILES: N[C@@H](C(c1ccccc1)(c1ccccc1)O)C(C)C.Cl
• InChI: InChI=1S/C17H21NO.ClH/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-13,16,19H,18H2,1-2H3;1H/t16-;/m1./s1
• InChIKey: SFKYWFMBUVMWNG-PKLMIRHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol hydrochloride
• IUPAC Traditional name: (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol hydrochloride
• Synonyms: (R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol hydrochloride; (R)-(+)-2-氨基-3-甲基-1,1-二苯基-1-丁醇盐酸盐

Database IDs

• CAS Number: 56755-20-5
• MDL Number: MFCD01318247
• PubChem SID: 180683272
• PubChem CID: 60145891

CALCULATED PROPERTIES

• Acid pKa: 12.879378
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.30183846
• LogD (pH = 7.4): 1.2963921
• Log P: 3.2822719
• Molar Refractivity: 78.6115 cm^3
• Polarizability: 31.327772 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 98%