Tropine

CAT: 0024-sc-224331Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-224331Size:10 g

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CAS Number

120-29-6

Chemical Information

8-Methyl-8-azabicyclo(3.2.1)octan-3-ol

tropin has been reported in Atropa bella-donna and Datura stramonium with data available.

CAS Number	120-29-6
PubChem CID	8424
IUPAC Name	8-methyl-8-azabicyclo[3.2.1]octan-3-ol
Molecular Formula	C8H15NO
Molecular Weight	141.21
XLogP	0.8
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	123

SMILES

CN1C2CCC1CC(C2)O

InChI

InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3

InChIKey

CYHOMWAPJJPNMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120-29-6

CID: 8424

Formula: C8H15NO

MW: 141.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.21
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	141.115364102
Monoisotopic Mass	141.115364102
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	123
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
Compound Is Canonicalized	Yes

Catalog	Name
sc-224330	Tropane
sc-224332A	Tropone
sc-224330A	Tropane
sc-224332	Tropone
sc-253807	Tropinone
sc-253807A	Tropinone
sc-478109	3α-Phenylacetoxy Tropane-d5
sc-506876	Tropinone oxime hydrochloride
sc-279002	DL-Tropic acid
sc-470214	(1R,2S,3S,5S) -3-Phenyl-2- (3-methyl-1,2,4-oxadiazol-5-yl) Tropane