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25182-49-4 | 1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, (2S)-
CAS No: 25182-49-4 Catalog No: AG002QSI MDL No:
Product Description
Catalog Number:
AG002QSI
Chemical Name:
1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, (2S)-
CAS Number:
25182-49-4
Molecular Formula:
C8H18NO2+
Molecular Weight:
160.2340
IUPAC Name:
[(2S)-2-acetyloxypropyl]-trimethylazanium
InChI:
InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1/t7-/m0/s1
InChI Key:
NZWOPGCLSHLLPA-ZETCQYMHSA-N
SMILES:
C[C@@H](C[N+](C)(C)C)OC(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
160.134g/mol
Formal Charge:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.237g/mol
Monoisotopic Mass:
160.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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