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120086-58-0

120086-58-0 | 13-Docosen-1-aminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1), (13Z)-

CAS No: 120086-58-0 Catalog No: AG000QAG MDL No:

Product Description

Catalog Number:
AG000QAG
Chemical Name:
13-Docosen-1-aminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1), (13Z)-
CAS Number:
120086-58-0
Molecular Formula:
C27H56ClNO2
Molecular Weight:
462.1920
IUPAC Name:
[(Z)-docos-13-enyl]-bis(2-hydroxyethyl)-methylazanium;chloride
InChI:
InChI=1S/C27H56NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2,24-26-29)25-27-30;/h10-11,29-30H,3-9,12-27H2,1-2H3;1H/q+1;/p-1/b11-10-;
InChI Key:
GIIGBNLFBXYUEF-GMFCBQQYSA-M
SMILES:
CCCCCCCC/C=C\CCCCCCCCCCCC[N+](CCO)(CCO)C.[Cl-]
EC Number:
426-210-6

Properties

Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
461.4g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
462.2g/mol
Monoisotopic Mass:
461.4g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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