N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine

Catalog Number	ACM1956310896
CAS	1956310-89-6
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(8),9,16-pentaen-13-amine
Molecular Weight	425.54
Molecular Formula	C26H36NO2P
InChI	PTXIBXDPTUXENV-UHFFFAOYSA-N
InChI Key	InChI=1S/C26H36NO2P/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/h13-19,21H,5-12H2,1-4H3
Purity	98%
Isomeric SMILES	CC(C)N(C(C)C)P1OC2=C(C3CCCCC3C=C2)C4=C(O1)C=CC5=C4CCCC5

Q&A

What is the IUPAC name of the compound N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The IUPAC name is 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(8),9,16-pentaen-13-amine.

What is the molecular formula of the compound N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular formula is C26H36NO2P.

What is the molecular weight of the compound N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular weight is 425.5g/mol.

How many Covalently-Bonded Units are there in the compound N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There is only 1 covalently-bonded unit in the compound.

What is the Canonical SMILES representation of the compound N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The Canonical SMILES is CC(C)N(C(C)C)P1OC2=C(C3CCCCC3C=C2)C4=C(O1)C=CC5=C4CCCC5.

What is the XLogP3 value of the compound N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The XLogP3 value is 7.6.

What are the Depositor-Supplied Synonyms of the compound N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The Depositor-Supplied Synonyms include (S)-N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine, (R)-N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine, among others.

What is the InChIKey of the compound N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The InChIKey is PTXIBXDPTUXENV-UHFFFAOYSA-N.

What is the exact mass of the compound N,N-Diisopropyl-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The exact mass is 425.24836639.