N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine

Catalog Number	ACM500103264-1
CAS	500103-26-4
Structure
Synonyms	O,O'-(2,2'-Biphenyldiyl) N,N-bis[(R)-1-phenylethyl]phosphoramidite; BIPOL-A1(R); (R,R)-N-(5,7-Diox-6-phosphadibenzo[a,c]cyclohepten-6-yl)bis(1-phenylethyl)amine
IUPAC Name	N,N-bis[(1R)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
Molecular Weight	439.49
Molecular Formula	C28H26NO2P
InChI	JISGHECLGYELKD-FGZHOGPDSA-N
InChI Key	InChI=1S/C28H26NO2P/c1-21(23-13-5-3-6-14-23)29(22(2)24-15-7-4-8-16-24)32-30-27-19-11-9-17-25(27)26-18-10-12-20-28(26)31-32/h3-22H,1-2H3/t21-,22-/m1/s1
Boiling Point	578.4±53.0 °C(Predicted)
Melting Point	99-102 °C
Purity	97%
Appearance	Solid
Isomeric SMILES	C[C@H](C1=CC=CC=C1)N([C@H](C)C2=CC=CC=C2)P3OC4=CC=CC=C4C5=CC=CC=C5O3
pKa	-0.31±0.20(Predicted)

Q&A

What is the IUPAC name of N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

N,N-bis[(1R)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine

What is the exact mass of N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

439.17011607

How many heavy atoms are present in N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

32

What is the Canonical SMILES of N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

CC(C1=CC=CC=C1)N(C(C)C2=CC=CC=C2)P3OC4=CC=CC=C4C5=CC=CC=C5O3

Is N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine a hydrogen bond acceptor?

Yes, with a count of 3

What is the molecular weight of N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

439.5g/mol

What is the topological polar surface area of N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

29.5

How many defined atom stereocenters are present in N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

2

What is the InChI of N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

InChI=1S/C28H26NO2P/c1-21(23-13-5-3-6-14-23)29(22(2)24-15-7-4-8-16-24)32-30-27-19-11-9-17-25(27)26-18-10-12-20-28(26)31-32/h3-22H,1-2H3/t21-,22-/m1/s1

What is one of the Depositor-Supplied Synonyms for N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

N,N-Bis[(1R)-(+)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine