(1R,2R)-2-Amino-1-phenylpropyldiphenylphosphine

• CAS: 799297-44-2
• Catalog Number: ACM799297442-1
• Category: Other Products
• Molecular Weight: 319.38
• Molecular Formula: C21H22NP
• Synonyms: (R,R)-(-)-2-Amino-1-phenylpropyldiphenylphosphine
• IUPAC Name: (1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine
• Canonical SMILES: CC(C(C1=CC=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)N
• InChI: JWZAIGGNEGTDMG-UTKZUKDTSA-N
• InChI Key: InChI=1S/C21H22NP/c1-17(22)21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,22H2,1H3/t17-,21+/m1/s1
• Boiling Point: 450.0±38.0 °C(Predicted)
• Melting Point: 105-109 °C
• Appearance: Solid
• Storage: 20-25°C
• Complexity: 309
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 319.149g/mol
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 23
• Isomeric SMILES: C[C@H]([C@@H](C1=CC=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)N
• Monoisotopic Mass: 319.149g/mol
• pKa: 8.87±0.10(Predicted)
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 26A^2

Custom Q&A

What is the CAS number for the compound?

CAS number: 799297-44-2

What is the molecular formula of the compound?

Molecular Formula: C21H22NP

What is the molecular weight of the compound?

Molecular Weight: 319.4 g/mol

What is the exact mass of the compound?

Exact Mass: 319.148986704

What is the IUPAC name of the compound?

IUPAC Name: (1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine

What is the Canonical SMILES representation of the compound?

Canonical SMILES: CC(C(C1=CC=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)N

How many heavy atoms are present in the compound?

Heavy Atom Count: 23

How many rotatable bonds are present in the compound?

Rotatable Bond Count: 5

What is the XLogP3 value of the compound?

XLogP3: 4.1

What is the InChIKey of the compound?

InChIKey: JWZAIGGNEGTDMG-UTKZUKDTSA-N