(S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine

Catalog Number	ACM828927964-1
CAS	828927-96-4
Structure
Synonyms	(R,S)-N-PINAP
IUPAC Name	4-(2-diphenylphosphanylnaphthalen-1-yl)-N-[(1R)-1-phenylethyl]phthalazin-1-amine
Molecular Weight	559.64
Molecular Formula	C38H30N3P
InChI	HCEVCINOBTVHOF-HHHXNRCGSA-N
InChI Key	InChI=1S/C38H30N3P/c1-27(28-15-5-2-6-16-28)39-38-34-24-14-13-23-33(34)37(40-41-38)36-32-22-12-11-17-29(32)25-26-35(36)42(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h2-27H,1H3,(H,39,41)/t27-/m1/s1
Boiling Point	732.0±60.0 °C(Predicted)
Melting Point	>210 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	C[C@H](C1=CC=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=C(C=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7
pKa	5.35±0.30(Predicted)

Q&A

What is the molecular formula of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

The molecular formula of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine is C38H30N3P.

What is the molecular weight of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

The molecular weight of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine is 559.6g/mol.

What is the Monoisotopic Mass of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

The Monoisotopic Mass of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine is 559.21773497.

How many Heavy Atoms are present in (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

There are 42 Heavy Atoms present in (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine.

What is the Canonical SMILES of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

The Canonical SMILES of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine is CC(C1=CC=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=C(C=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7.

How many Rotatable Bond Counts are there in (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

There are 7 Rotatable Bond Counts in (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine.

What is the XLogP3 property of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

The XLogP3 property of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine is 8.9.

What is the InChIKey of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

The InChIKey of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine is HCEVCINOBTVHOF-HHHXNRCGSA-N.

What is the IUPAC Name of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

The IUPAC Name of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine is 4-(2-diphenylphosphanylnaphthalen-1-yl)-N-[(1R)-1-phenylethyl]phthalazin-1-amine.

What are some of the Depositor-Supplied Synonyms of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine?

Some of the Depositor-Supplied Synonyms of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine are (R,R)-PINAP, SCHEMBL3120058, and (S)-N-PINAP.