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206988-59-2 | 1-Propanaminium, N,N,N-trimethyl-3-[(1-oxododecyl)amino]-, iodide (1:1)
CAS No: 206988-59-2 Catalog No: AG002ISD MDL No:
Product Description
Catalog Number:
AG002ISD
Chemical Name:
1-Propanaminium, N,N,N-trimethyl-3-[(1-oxododecyl)amino]-, iodide (1:1)
CAS Number:
206988-59-2
Molecular Formula:
C18H39IN2O
Molecular Weight:
426.4195
IUPAC Name:
3-(dodecanoylamino)propyl-trimethylazanium;iodide
InChI:
InChI=1S/C18H38N2O.HI/c1-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(2,3)4;/h5-17H2,1-4H3;1H
InChI Key:
WJKIKAAZANCEEC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.[I-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.211g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.427g/mol
Monoisotopic Mass:
426.211g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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