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 Formula	C₈H₁₆ClNO
Molecular Weight	177.67 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	177.0920418 g/mol
Monoisotopic Mass	177.0920418 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	118
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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