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CID 36689184

PubChem CID
36689184
Structure
CID 36689184_small.png
Molecular Formula
Status
Non-live
Molecular Weight
182.24 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 36689184.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxyethyl-[(2-methoxyphenyl)methyl]azanium

2.1.2 InChI

InChI=1S/C10H15NO2/c1-13-10-5-3-2-4-9(10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3/p+1

2.1.3 InChIKey

AGPIPNWQAIQDNS-UHFFFAOYSA-O

2.1.4 SMILES

COC1=CC=CC=C1C[NH2+]CCO

2.2 Molecular Formula

C10H16NO2+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
182.24 g/mol
Property Name
XLogP3
Property Value
0.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
182.118103753 g/mol
Property Name
Monoisotopic Mass
Property Value
182.118103753 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
130
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS