4,15,21,32,37,48-Hexaoxa-1,18-diazabicyclo(16.16.16)pentacontane-5,14,22,31,38,47-hexone

Name: 4,15,21,32,37,48-Hexaoxa-1,18-diazabicyclo(16.16.16)pentacontane-5,14,22,31,38,47-hexone
SKU: ACM94088547
Rating: 5 (1 reviews)

CAS

94088-54-7

Catalog Number

ACM94088547

Category

Other Products

Molecular Weight

797.02728

Molecular Formula

C₄₂H₇₂N₂O₁₂

COA MSDS SDS Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

94088-54-7, 4,15,21,32,37,48-Hexaoxa-1,18-diazabicyclo(16.16.16)pentacontane-5,14,22,31,38,47-hexone, 4,15,21,32,37,48-HEXAOXA-1,18-DIAZABICYCLO[16.16.16]PENTACONTANE-5,14,22,31,38,47-HEXONE, CTK3I8790, EINECS 302-055-9, AG-H-86736

IUPAC Name

4,15,21,32,37,48-hexaoxa-1,18-diazabicyclo[16.16.16]pentacontane-5,14,22,31,38,47-hexone

SMILES

C1CCCCC(=O)OCCN2CCOC(=O)CCCCCCCCC(=O)OCCN(CCOC(=O)CCC1)CCOC(=O)CCCCCCCCC(=O)OCC2

InChI Key

LZUIHANWEHANCW-UHFFFAOYSA-N

Boiling Point

1010.1ºC at 760mmHg

Flash Point

564.7ºC

Density

1.13g/cm³

EC Number

302-055-9

Exact Mass

796.50900

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound with PubChem CID 53425884?

The molecular formula is C42H72N2O12.

What is the IUPAC name of the compound?

The IUPAC name is 4,15,21,32,37,48-hexaoxa-1,18-diazabicyclo[16.16.16]pentacontane-5,14,22,31,38,47-hexone.

What is the InChI of the compound?

The InChI is InChI=1S/C42H72N2O12/c45-37-19-13-7-1-2-8-14-20-38(46)52-32-26-44-29-35-55-41(49)23-17-11-5-3-9-15-21-39(47)53-33-27-43(25-31-51-37)28-34-54-40(48)22-16-10-4-6-12-18-24-42(50)56-36-30-44/h1-36H2.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1CCCCC(=O)OCCN2CCOC(=O)CCCCCCCCC(=O)OCCN(CCOC(=O)CCC1)CCOC(=O)CCCCCCCCC(=O)OCC2.

What is the CAS number of the compound?

The CAS number is 94088-54-7.

What is the European Community (EC) number of the compound?

The EC number is 302-055-9.

What is the molecular weight of the compound?

The molecular weight is 797.0 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 7.4.

How many hydrogen bond acceptor counts does the compound have?

The compound has 14 hydrogen bond acceptor counts.