L319

CAT: 0127-BUP05042-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05042-02Size:10 mg

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CAS Number

1351586-50-9

Synonyms

Di ((Z) -Non-2-en-1-yl) 9- ((4- (dimethylamino) butanoyl) oxy) heptadecanedioate

Purity

=98%

Smiles

CCCCCC\C=C/COC(=O)CCCCCCCC(CCCCCCCC(=O)OC\C=C/CCCCCC)OC(=O)CCCN(C)C

Chemical Information

di((Z)-non-2-en-1-yl) 9-((4-(dimethylamino)butanoyl)oxy)heptadecanedioate

CAS Number	1351586-50-9
PubChem CID	54767811
IUPAC Name	bis[(Z)-non-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate
Molecular Formula	C41H75NO6
Molecular Weight	678.0
XLogP	12.5
Topological Polar Surface Area	82.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	38
Heavy Atom Count	48
Formal Charge	0
Complexity	757

SMILES

CCCCCC/C=C\COC(=O)CCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCC(=O)OC/C=C\CCCCCC

InChI

InChI=1S/C41H75NO6/c1-5-7-9-11-13-21-27-36-46-39(43)32-25-19-15-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-16-20-26-33-40(44)47-37-28-22-14-12-10-8-6-2/h21-22,27-28,38H,5-20,23-26,29-37H2,1-4H3/b27-21-,28-22-

InChIKey

DGNMJYUPWDTKJB-ZDSKVHJSSA-N

Chemical Structure

2D Structure

CAS: 1351586-50-9

CID: 54767811

Formula: C41H75NO6

MW: 678.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	678.0
XLogP3	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	38
Exact Mass	677.55943911
Monoisotopic Mass	677.55943911
Topological Polar Surface Area	82.1 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	757
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19219965-01	L319

L319

Chemical Information

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