(S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine

Catalog Number	ACM389130067-1
CAS	389130-06-7
Structure
Synonyms	(11bS)-N,N-dimethyl-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine; MonoPhos Ligand
IUPAC Name	N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-amine
Molecular Weight	367.43
Molecular Formula	C22H26NO2P
InChI	OIZQADYWBXZQKE-UHFFFAOYSA-N
InChI Key	InChI=1S/C22H26NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h11-14H,3-10H2,1-2H3
Melting Point	112-113 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CN(C)P1OC2=C(C3=C(CCCC3)C=C2)C4=C(O1)C=CC5=C4CCCC5

Q&A

What is the CAS number of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine?

The CAS number of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine is 1258223-37-8.

What is the Canonical SMILES representation of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine?

The Canonical SMILES representation of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine is CN(C)P1OC2=C(C3=C(CCCC3)C=C2)C4=C(O1)C=CC5=C4CCCC5.

How many hydrogen bond acceptors does (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine have?

The compound has 3 hydrogen bond acceptors.

What is the XLogP3 value of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine?

The XLogP3 value of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine is 6.3.

What is the molecular weight of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine?

The molecular weight of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine is 367.4 g/mol.

What is the IUPAC name of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine?

The IUPAC name of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine is N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-amine.

What is the InChIKey of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine?

The InChIKey of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine is OIZQADYWBXZQKE-UHFFFAOYSA-N.

How many heavy atoms does (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine contain?

The compound contains 26 heavy atoms.

What is the exact mass of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine?

The exact mass of (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine is 367.17011607.

How many rotatable bonds does (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine have?

The compound has 1 rotatable bond.