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88552-96-9 | 1-Tetradecanaminium, 3-hydroxy-N,N,N-trimethyl-, iodide
CAS No: 88552-96-9 Catalog No: AG004F0S MDL No:
Product Description
Catalog Number:
AG004F0S
Chemical Name:
1-Tetradecanaminium, 3-hydroxy-N,N,N-trimethyl-, iodide
CAS Number:
88552-96-9
Molecular Formula:
C17H38INO
Molecular Weight:
399.3942
IUPAC Name:
3-hydroxytetradecyl(trimethyl)azanium;iodide
InChI:
InChI=1S/C17H38NO.HI/c1-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(2,3)4;/h17,19H,5-16H2,1-4H3;1H/q+1;/p-1
InChI Key:
FHTKAFRJSZWADH-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC(CC[N+](C)(C)C)O.[I-]
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.2g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.401g/mol
Monoisotopic Mass:
399.2g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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