(R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine

Catalog Number	ACM406680942-2
CAS	406680-94-2
Structure
Synonyms	(1R)-1-(Diphenylphosphino)-2-[(1R)-1-[(diphenylphosphino)methylamino]ethyl]ferrocene; Methyl-BoPhoz
Molecular Weight	611.50
Molecular Formula	C37H35FeNP2
InChI	AUOSBYDSIIBHRJ-UHFFFAOYSA-N
InChI Key	InChI=1S/C32H30NP2.C5H5.Fe/c1-33(35(30-20-10-4-11-21-30)31-22-12-5-13-23-31)26-25-27-15-14-24-32(27)34(28-16-6-2-7-17-28)29-18-8-3-9-19-29;1-2-4-5-3-1;/h2-24H,25-26H2,1H3;1-5H;
Melting Point	108.7-113.6 °C
Purity	96%+
Appearance	Solid
Isomeric SMILES	CN(CC[C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe]

Q&A

What is the molecular formula of (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

The molecular formula is C37H35FeNP2.

What is the exact mass of (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

The exact mass is 611.159410 g/mol.

How many heavy atoms are present in (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

There are 41 heavy atoms in (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine.

What is the Canonical SMILES representation of (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

The Canonical SMILES representation is CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)N(C)P(C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe]

What are some synonyms for (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

Some synonyms include (s)-Methyl-BoPhoz and BP-12294.

How many computed properties are defined for (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

There are 9 computed properties defined for (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine.

What is the CAS number of (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

The CAS number is 406681-09-2.

What is the InChIKey of (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

The InChIKey is ZIAZHUWEJYUGEO-FBHGDYMESA-N.

How many rotatable bonds are present in (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

There are 8 rotatable bonds present.

What is the topological polar surface area of (R)-N-Methyl-N-diphenylphosphino-1-[(S)-2-diphenylphosphino)ferrocenyl]ethylamine?

The topological polar surface area is 3.2.