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[2,3-bis(octadec-9-enoyloxy)propyl]trimethylazanium hydrochloride

[2,3-bis(octadec-9-enoyloxy)propyl]trimethylazanium hydrochloride

CAS: 132172-61-3

Formula: C42H81ClNO4

SMILES: Cl.CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

IUPAC: [2,3-bis(octadec-9-enoyloxy)propyl]trimethylazanium hydrochloride

InChI: InChI=1/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;

Composition: C (72.11%), H (11.67%), Cl (5.07%), N (2.00%), O (9.15%)

Molar Mass: 699.56

Atom Count: 129

Heavy Atom Count: 48

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 698.5848642
Formal Charge 1
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KSXTUUUQYQYKCR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 215.98
Topological Polar Surface Area 52.6
Polarizability 80.64
Ring Count 0
Rotatable Bond Count 37

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Purity LeadTime CAS UnitPrice
98% <10 Days 132172-61-3 Quote Only