CAS 3423-25-4

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Also known as: 3423-25-4, 259092-15-4, 8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol, 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol, (3-endo)-3-hydroxy-8-isopropyl-8-azabicyclo[3.2.1]octane, Einecs 222-314-9

Molecular Formula

C₁₀H₁₉NO

Molecular Weight

169.26 g/mol

InChI Key

YYDQYSQZIUSKFN-UHFFFAOYSA-N

1 2D Structure

CAS 3423-25-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

2.1.2 InChI

InChI=1S/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3

2.1.3 InChI Key

YYDQYSQZIUSKFN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)N1C2CCC1CC(C2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3423-25-4

2. 259092-15-4

3. 8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

4. 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

5. (3-endo)-3-hydroxy-8-isopropyl-8-azabicyclo[3.2.1]octane

6. Einecs 222-314-9

7. Ec 222-314-9

8. Ao-801/41077387

9. Schembl10362733

10. Dtxsid10955774

11. Bcp34373

12. Mfcd28010178

13. Akos011240753

14. Sy226328

15. Cs-0450214

16. En300-89000

17. 1alphah,5alphah-nortropan-3alpha-ol, 8-isopropyl-

18. Z905065862

19. 8-azabicyclo[3.2.1]octan-3-ol,8-(1-methylethyl)-(9ci)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₉NO
Molecular Weight	169.26 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	169.146664230 g/mol
Monoisotopic Mass	169.146664230 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1