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102583-74-4 | 1-Tridecanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1)
CAS No: 102583-74-4 Catalog No: AG0007TU MDL No:
Product Description
Catalog Number:
AG0007TU
Chemical Name:
1-Tridecanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1)
CAS Number:
102583-74-4
Molecular Formula:
C18H40ClNO2
Molecular Weight:
337.9687
IUPAC Name:
bis(2-hydroxyethyl)-methyl-tridecylazanium;chloride
InChI:
InChI=1S/C18H40NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(2,15-17-20)16-18-21;/h20-21H,3-18H2,1-2H3;1H/q+1;/p-1
InChI Key:
DOQXPZHBNGZYAI-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCC[N+](CCO)(CCO)C.[Cl-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.275g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.973g/mol
Monoisotopic Mass:
337.275g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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