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CID 21502321

PubChem CID
21502321
Structure
CID 21502321_small.png
Molecular Formula
Status
Non-live
Molecular Weight
205.72 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 21502321.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;hydrochloride

2.1.2 InChI

InChI=1S/C10H19NO.ClH/c1-9(2)6-4-5-10(9,3)8(12)7(6)11;/h6-8,12H,4-5,11H2,1-3H3;1H

2.1.3 InChIKey

RCFDXVSHVQMRGJ-UHFFFAOYSA-N

2.1.4 SMILES

CC1(C2CCC1(C(C2N)O)C)C.Cl

2.2 Molecular Formula

C10H20ClNO

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
205.72 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
205.1233420 g/mol
Property Name
Monoisotopic Mass
Property Value
205.1233420 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.3 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
214
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
4
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