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Australine hydrochloride

CAT: 0024-sc-202479Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202479Size:1 mg
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CAS Number
186766-07-4

Chemical Information

Australine hydrochloride
CAS Number186766-07-4
PubChem CID53398646
IUPAC Name3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol;hydrochloride
Molecular FormulaC8H16ClNO4
Molecular Weight225.67
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity201
SMILES
C1CN2C(C(C(C2C1O)O)O)CO.Cl
InChI
InChI=1S/C8H15NO4.ClH/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6;/h4-8,10-13H,1-3H2;1H
InChIKey
VGFORKADSOHYJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Australine hydrochloride
CAS: 186766-07-4
CID: 53398646
Formula: C8H16ClNO4
MW: 225.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.67
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass225.0767857
Monoisotopic Mass225.0767857
Topological Polar Surface Area84.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
XA181121-01Australine hydrochloride
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