(+)-N-METHYLPSEUDOEPHEDRINE

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Keyword(s): Natural Toxins
Molecule Category Free-form
UNII 6P8GZM6LZU
EPA CompTox DTXSID401021166

Structure

InChI Key FMCGSUUBYTWNDP-GXSJLCMTSA-N
Smiles C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C
InChI
InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17NO
Molecular Weight 179.13
AlogP 1.67
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 23.47
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 51018-28-1
NORMAN SUSDAT
FDA SRS 6P8GZM6LZU
PubChem 7059596
ChemSpider 5415764.0
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