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CID 70464032

PubChem CID
70464032
Structure
CID 70464032_small.png
Molecular Formula
Status
Non-live
Molecular Weight
201.69 g/mol
Dates
  • Create:
    2012-12-01

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 70464032.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

dimethyl(2-phenoxyethyl)azanium;chloride

2.1.2 InChI

InChI=1S/C10H15NO.ClH/c1-11(2)8-9-12-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H

2.1.3 InChIKey

SAJZROFYEIAZOR-UHFFFAOYSA-N

2.1.4 SMILES

C[NH+](C)CCOC1=CC=CC=C1.[Cl-]

2.2 Molecular Formula

C10H16ClNO

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
201.69 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
201.0920418 g/mol
Property Name
Monoisotopic Mass
Property Value
201.0920418 g/mol
Property Name
Topological Polar Surface Area
Property Value
13.7 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
108
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS