CAS 79221-75-3 manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as: 79221-75-3, 1-azabicyclo[2.2.2]octan-3-ylmethanol;hydrochloride, Schembl10978368, Mfcd09673408, Akos000425217, Akos024397512
Molecular Formula
C8H16ClNO
Molecular Weight
177.67  g/mol
InChI Key
NMEVUMYCORKZHD-UHFFFAOYSA-N

CAS 79221-75-3
1 2D Structure

CAS 79221-75-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-azabicyclo[2.2.2]octan-3-ylmethanol;hydrochloride
2.1.2 InChI
InChI=1S/C8H15NO.ClH/c10-6-8-5-9-3-1-7(8)2-4-9;/h7-8,10H,1-6H2;1H
2.1.3 InChI Key
NMEVUMYCORKZHD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN2CCC1C(C2)CO.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 79221-75-3

2. 1-azabicyclo[2.2.2]octan-3-ylmethanol;hydrochloride

3. Schembl10978368

4. Mfcd09673408

5. Akos000425217

6. Akos024397512

7. 1-azabicyclo[2.2.2]oct-3-ylmethanol Hydrochloride

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 177.67 g/mol
Molecular Formula C8H16ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass177.0920418 g/mol
Monoisotopic Mass177.0920418 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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