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Tropane

CAT: 1596-AR-T06081-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T06081-01Size:10 Units
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CAS Number
529-17-9
Molecular Formula
C8H15N
Molecular Weight
125.22
API Name
Tropane

Chemical Information

Tropane

Tropane is an alkaloid fundamental parent, a tropane alkaloid, an azabicycloalkane and a saturated organic heterobicyclic parent.

CAS Number529-17-9
PubChem CID637986
IUPAC Name(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane
Molecular FormulaC8H15N
Molecular Weight125.21
XLogP1.7
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
CN1[C@@H]2CCC[C@H]1CC2
InChI
InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+
InChIKey
XLRPYZSEQKXZAA-OCAPTIKFSA-N
Chemical Structure
2D Structure
2D structure of Tropane
CAS: 529-17-9
CID: 637986
Formula: C8H15N
MW: 125.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.21
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass125.120449483
Monoisotopic Mass125.120449483
Topological Polar Surface Area3.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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Alternative Products

CatalogName
sc-224330ATropane
TRC-P306100-50MG3a-Phenylacetoxy Tropane
TRC-P306100-25MG3alpha-Phenylacetoxy Tropane
MBS6049963-013alpha-Phenylacetoxy Tropane-d5
0193783α-Phenylacetoxy Tropane-d5
JH1137693- (4-chlorophenyl) tropane-2-carboxylic acid methyl ester
XFA05995-01(1R,2S,3S,5S) -3-Phenyl-2- (3-methyl-1,2,4-oxadiazol-5-yl) tropane
TRC-P335780-250MG(1R,2S,3S,5S)-3-Phenyl-2-(3-methyl-1,2,4-oxadiazol-5-yl) Tropane

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