(S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine

Catalog Number	ACM185449858
CAS	185449-85-8
Structure
Synonyms	(11bS)- N,N-Bis(1-methylethyl)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
IUPAC Name	N,N-di(propan-2-yl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
Molecular Weight	415.46
Molecular Formula	C26H26NO2P
InChI	CEAPBCPUPILJSR-UHFFFAOYSA-N
InChI Key	InChI=1S/C26H26NO2P/c1-17(2)27(18(3)4)30-28-23-15-13-19-9-5-7-11-21(19)25(23)26-22-12-8-6-10-20(22)14-16-24(26)29-30/h5-18H,1-4H3
Boiling Point	574.0±33.0 °C(Predicted)
Purity	98%
Isomeric SMILES	CC(C)N(C(C)C)P1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54
pKa	2.20±0.20(Predicted)

Q&A

What is the canonical SMILES of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

CC(C)N(C(C)C)P1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54

How many computed properties are listed for (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

Fifteen computed properties are listed.

What is the formal charge of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The formal charge of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is 0.

How many heavy atoms are present in (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There are 30 heavy atoms present in (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine.

What is the XLogP3 value of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The XLogP3 value of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is 7.7.

What is the molecular weight of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular weight of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is 415.5 g/mol.

What is the InChIKey of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The InChIKey of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is CEAPBCPUPILJSR-UHFFFAOYSA-N.

What is the molecular formula of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular formula of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is C26H26NO2P.

What is the exact mass of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The exact mass of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is 415.17011607.

Which depositor-supplied synonym is a 98-99% ee purity form of (S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The synonym "(S)-N,N-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine, 98% 99%ee" is the form with a 98-99% ee purity.