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828933-73-9

828933-73-9 | 1-Dodecanaminium, N-[(2-ethylbutoxy)methyl]-N,N-dimethyl-, chloride

CAS No: 828933-73-9 Catalog No: AG004RV4 MDL No:

Product Description

Catalog Number:
AG004RV4
Chemical Name:
1-Dodecanaminium, N-[(2-ethylbutoxy)methyl]-N,N-dimethyl-, chloride
CAS Number:
828933-73-9
Molecular Formula:
C21H46ClNO
Molecular Weight:
364.0490
IUPAC Name:
dodecyl-(2-ethylbutoxymethyl)-dimethylazanium;chloride
InChI:
InChI=1S/C21H46NO.ClH/c1-6-9-10-11-12-13-14-15-16-17-18-22(4,5)20-23-19-21(7-2)8-3;/h21H,6-20H2,1-5H3;1H/q+1;/p-1
InChI Key:
NSNWQKVFXSVYTD-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[N+](COCC(CC)CC)(C)C.[Cl-]

Properties

Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.327g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.055g/mol
Monoisotopic Mass:
363.327g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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