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102571-42-6 | 1-Undecanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1)
CAS No: 102571-42-6 Catalog No: AG0007RI MDL No:
Product Description
Catalog Number:
AG0007RI
Chemical Name:
1-Undecanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1)
CAS Number:
102571-42-6
Molecular Formula:
C16H36ClNO2
Molecular Weight:
309.9155
IUPAC Name:
bis(2-hydroxyethyl)-methyl-undecylazanium;chloride
InChI:
InChI=1S/C16H36NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-17(2,13-15-18)14-16-19;/h18-19H,3-16H2,1-2H3;1H/q+1;/p-1
InChI Key:
RSMBRLAXHPRAAU-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCC[N+](CCO)(CCO)C.[Cl-]
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.243g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.919g/mol
Monoisotopic Mass:
309.243g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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