[1S-(1A,2ß,3A,5A)]-PINANE-3-METHYLAMMONIUM CHLORIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key KUNCCMAQTBTWDW-LUWJYHRHSA-N
Smiles [Cl-].CNC1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C.[H+]
InChI
InChI=1S/C11H21N/c1-7-9-5-8(11(9,2)3)6-10(7)12-4/h7-10,12H,5-6H2,1-4H3/t7-,8-,9-,10?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21N1
Molecular Weight 167.17
AlogP 2.28
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.03
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 57357-84-3
NORMAN SUSDAT
CONTENTS