(R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine

Catalog Number	ACM498580486-1
CAS	498580-48-6
Structure
Synonyms	(R)-(-)-Alpha-[(S)-2-(Diphenylphosphino)Ferrocenyl]Benzylamine
Molecular Weight	475.35
Molecular Formula	C29H26FeNP
InChI	MFDHVPUOEKPVJH-PPLJNSMQSA-N
InChI Key	InChI=1S/C24H21NP.C5H5.Fe/c25-24(19-11-4-1-5-12-19)22-17-10-18-23(22)26(20-13-6-2-7-14-20)21-15-8-3-9-16-21;1-2-4-5-3-1;/h1-18,24H,25H2;1-5H;/t24-;;/m1../s1
Purity	98%
Appearance	Solid
Isomeric SMILES	C1=CC=C(C=C1)[C@H]([C]2[CH][CH][CH][C]2P(C3=CC=CC=C3)C4=CC=CC=C4)N.[CH]1[CH][CH][CH][CH]1.[Fe]

Q&A

What is the molecular formula of (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine?

The molecular formula is C29H26FeNP.

What is the exact mass of (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine?

The exact mass is 475.115222 g/mol.

How many heavy atoms are present in (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine?

There are 32 heavy atoms.

What is the canonical SMILES representation of (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine?

C1=CC=C(C=C1)C([C]2[CH][CH][CH][C]2P(C3=CC=CC=C3)C4=CC=CC=C4)N.[CH]1[CH][CH][CH][CH]1.[Fe]

What is the name of the compound with the chemical structure shown?

The compound is named (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine.

How many covalently-bonded units are present in (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine?

There are 3 covalently-bonded units.

What is the SMILES representation of (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine in its isomeric form?

C1=CC=C(C=C1)[C@H]([C]2[CH][CH][CH][C]2P(C3=CC=CC=C3)C4=CC=CC=C4)N.[CH]1[CH][CH][CH][CH]1.[Fe]

How many rotatable bonds are present in (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine?

There are 5 rotatable bonds.

What is the InChIKey of (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine?

The InChIKey is MFDHVPUOEKPVJH-PPLJNSMQSA-N.

What is the topological polar surface area of (R)-(-)-1-[(S)-2-(Diphenylphosphino)ferrocenyl]benzylamine?

The topological polar surface area is 26.