CAS 1209437-82-0

1 2D Structure

CAS 1209437-82-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl)methanol

2.1.2 InChI

InChI=1S/C12H23NO/c1-9(2)13-11-4-3-5-12(13)7-10(6-11)8-14/h9-12,14H,3-8H2,1-2H3

2.1.3 InChI Key

UDXYDGOWXCGIFZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)N1C2CCCC1CC(C2)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. (9-isopropyl-9-azabicyclo[3.3.1]nonan-3-yl)methanol

2. 1209437-82-0

3. Akos026743601

4. Cs-0355069

5. En300-89035

2.3 Create Date

2010-06-21

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₃NO
Molecular Weight	197.32 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	23.5
Heavy Atom Count	14
Formal Charge	0
Complexity	179
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

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