((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)

Catalog Number	ACM2036272554
CAS	2036272-55-4
Structure
Synonyms	Decanoic acid, 2-hexyl-, 1,1'-[[(4-hydroxybutyl)imino]di-6,1-hexanediyl] ester;((4-hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)
IUPAC Name	6-[6-(2-hexyldecanoyloxy)hexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
Molecular Weight	766.27
Molecular Formula	C48H95NO5
Canonical SMILES	CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)CCCCO
InChI	QGWBEETXHOVFQS-UHFFFAOYSA-N
InChI Key	InChI=1S/C48H95NO5/c1-5-9-13-17-19-27-37-45(35-25-15-11-7-3)47(51)53-43-33-23-21-29-39-49(41-31-32-42-50)40-30-22-24-34-44-54-48(52)46(36-26-16-12-8-4)38-28-20-18-14-10-6-2/h45-46,50H,5-44H2,1-4H3
Boiling Point	760.6±55.0°C at 760 mmHg
Purity	≥98%
Density	0.919±0.06 g/cm3
Appearance	Colorless to yellowish oily liquid
Complexity	718
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	765.72102513
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Monoisotopic Mass	765.72102513
Physical State	Solid
Rotatable Bond Count	46
Storage Conditions	-20 °C
Topological Polar Surface Area	76.1 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

6-[6-(2-hexyldecanoyloxy)hexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate

What is the molecular formula of ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

C48H95NO5

What is the molecular weight of ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

766.3g/mol

What is the mono isotopic mass of ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

765.72102513

How many Covalently-Bonded Units are there in ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

1

What is the Canonical SMILES of ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

CCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)CCCCO

How many heavy atoms are present in ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

54

What is the formal charge of ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

0

How many hydrogen bond acceptors are there in ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

6

What is the InChIKey of ((4-Hydroxybutyl)azanediyl)bis(hexane-6,1-diyl)bis(2-hexyldecanoate)?

QGWBEETXHOVFQS-UHFFFAOYSA-N

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