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145730-12-7 | Morpholinium, 2-hydroxy-4,4-dimethyl-2-(4-methylphenyl)-, bromide (1:1)
CAS No: 145730-12-7 Catalog No: AG001DCA MDL No:
Product Description
Catalog Number:
AG001DCA
Chemical Name:
Morpholinium, 2-hydroxy-4,4-dimethyl-2-(4-methylphenyl)-, bromide (1:1)
CAS Number:
145730-12-7
Molecular Formula:
C13H20BrNO2
Molecular Weight:
302.2074
IUPAC Name:
4,4-dimethyl-2-(4-methylphenyl)morpholin-4-ium-2-ol
InChI:
InChI=1S/C13H20NO2/c1-11-4-6-12(7-5-11)13(15)10-14(2,3)8-9-16-13/h4-7,15H,8-10H2,1-3H3/q+1
InChI Key:
ARRYPXCYHOZZKM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1(O)OCC[N+](C1)(C)C.[Br-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.149g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.308g/mol
Monoisotopic Mass:
222.149g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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