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(+)-Anatoxin A Hydrochloride

CAT: 0572-TRC-A653360-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A653360-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64314-16-5
Synonyms
Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl-, hydrochloride (9CI); Ethanone, 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-, hydrochloride, (1R)-; 9-Azabicyclo[4.2.1]nonane, ethanone deriv.; (+)-Anatoxin-a hydrochloride; Anatoxin a hydrochloride; Anatoxin a hydrochloride; (+)-Anatoxin A hydrochloride
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
Cl.CC(=O)C1=CCC[C@@H]2CC[C@H]1N2
Molecular Formula
C10 H15 N O . Cl H
Molecular Weight
201.69
InChI
InChI=1S/C10H15NO.ClH/c1-7(12)9-4-2-3-8-5-6-10(9)11-8;/h4,8,10-11H,2-3,5-6H2,1H3;1H/t8-,10-;/m1./s1
Additionnal Information
IUPAC name: 1-[(1R,6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]ethanone;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Anatoxin A hydrochloride
CAS Number64314-16-5
PubChem CID135265
IUPAC Name1-[(1S)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone;hydrochloride
Molecular FormulaC10H16ClNO
Molecular Weight201.69
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity232
SMILES
CC(=O)C1=CCCC2CC[C@@H]1N2.Cl
InChI
InChI=1S/C10H15NO.ClH/c1-7(12)9-4-2-3-8-5-6-10(9)11-8;/h4,8,10-11H,2-3,5-6H2,1H3;1H/t8?,10-;/m0./s1
InChIKey
ZYFLQFXDHYWQMQ-LQRGNCEWSA-N
Chemical Structure
2D Structure
2D structure of Anatoxin A hydrochloride
CAS: 64314-16-5
CID: 135265
Formula: C10H16ClNO
MW: 201.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass201.0920418
Monoisotopic Mass201.0920418
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity232
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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