5-[[Bis-(2-hydroxyethyl)amino]carbonyl]-4-hexyl-N,N-bis(2-hydroxyethyl)cyclohex-2-ene-1-octanamide

CAS

94266-28-1

Catalog Number

ACM94266281

Category

Other Products

Molecular Weight

526.748860 [g/mol]

Molecular Formula

C₂₉H₅₄N₂O₆

MSDS COA Spec Sheet

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Specification

Synonyms

5-((Bis(2-hydroxyethyl)amino)carbonyl)-4-hexyl-N,N-bis(2-hydroxyethyl)cyclohex-2-ene-1-octanamide, 94266-28-1, CTK3I8865, EINECS 304-434-4, AG-H-89026

IUPAC Name

5-[8-[bis(2-hydroxyethyl)amino]-8-oxooctyl]-2-hexyl-N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide

Canonical SMILES

CCCCCCC1C=CC(CC1C(=O)N(CCO)CCO)CCCCCCCC(=O)N(CCO)CCO

InChI Key

FAWNXBJWLYWEAG-UHFFFAOYSA-N

Boiling Point

722.1ºC at 760mmHg

Flash Point

390.5ºC

Density

1.078g/cm³

EC Number

304-434-4

Exact Mass

526.39800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound with PubChem CID 57356745?

The molecular formula is C29H54N2O6.

What is the molecular weight of the compound?

The molecular weight is 526.7 g/mol.

What are the synonyms of the compound?

Some synonyms include 94266-28-1, EINECS 304-434-4, DTXSID801115470, and more.

What is the IUPAC name of the compound?

The IUPAC name is 5-[8-[bis(2-hydroxyethyl)amino]-8-oxooctyl]-2-hexyl-N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide.

What is the InChI of the compound?

The InChI is InChI=1S/C29H54N2O6/c1-2-3-4-9-12-26-15-14-25(24-27(26)29(37)31(18-22-34)19-23-35)11-8-6-5-7-10-13-28(36)30(16-20-32)17-21-33/h14-15,25-27,32-35H,2-13,16-24H2,1H3.

What is the InChIKey of the compound?

The InChIKey is FAWNXBJWLYWEAG-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CCCCCCC1C=CC(CC1C(=O)N(CCO)CCO)CCCCCCCC(=O)N(CCO)CCO.

What is the CAS number of the compound?

The CAS number is 94266-28-1.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.8.

How many hydrogen bond acceptors and donors does the compound have?

The compound has 6 hydrogen bond acceptors and 4 hydrogen bond donors.

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