Dotap chloride

Catalog Number	ACM132172613
CAS	132172-61-3
Structure
Synonyms	2,3-Bis(oleoyloxy)-N,N,N-trimethyl-1-propanaminium
IUPAC Name	2,3-Bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium;chloride
Molecular Weight	698.5
Molecular Formula	C42H80ClNO4
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]
InChI	InChI=1S/C42H80NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,40H,6-19,24-39H2,1-5H3;1H/q+1;/p-1/b22-20-,23-21-;
InChI Key	KSXTUUUQYQYKCR-LQDDAWAPSA-M
Melting Point	35-38 °C
Purity	98%+
Complexity	754
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	697.5775877
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Cl-]
Monoisotopic Mass	697.5775877
Physical State	Lyophilized powder
Rotatable Bond Count	37
Storage Conditions	-20 °C
Topological Polar Surface Area	52.6 Ų

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What is the Chemical Structure of Dotap chloride?

The Chemical Structure of Dotap chloride is C42H80ClNO4.

What is the Canonical SMILES of Dotap chloride?

The Canonical SMILES of Dotap chloride is CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

What is the CAS number of Dotap chloride?

The CAS number of Dotap chloride is 132172-61-3.

How many Covalently-Bonded Units are in Dotap chloride?

There are 2 Covalently-Bonded Units in Dotap chloride.

What is the Computed Properties Heavy Atom Count of Dotap chloride?

The Computed Properties Heavy Atom Count of Dotap chloride is 48.

How many Rotatable Bond Counts are in Dotap chloride?

There are 37 Rotatable Bond Counts in Dotap chloride.

What is the InChIKey of Dotap chloride?

The InChIKey of Dotap chloride is KSXTUUUQYQYKCR-LQDDAWAPSA-M.

What is the Molecular Formula of Dotap chloride?

The Molecular Formula of Dotap chloride is C42H80ClNO4.

What is the Molecular Weight of Dotap chloride?

The Molecular Weight of Dotap chloride is 698.5 g/mol.

What are some of the Depositor-Supplied Synonyms of Dotap chloride?

Some of the Depositor-Supplied Synonyms of Dotap chloride are DOTAP, 1-Propanaminium, N,N,N-trimethyl-2,3-bis[[(9Z)-1-oxo-9-octadecenyl]oxy]-, chloride (1:1), and N-(1-(2,3-Dioleoyloxy)propyl)-N,N,N-trimethylammonium chloride.

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Dotap chloride (132172-61-3)

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