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Bicifadine hydrochloride

CAT: 0013-GTR19201420-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201420-01Size:25 mg
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Description
Bicifadine hydrochloride
CAS Number
66504-75-4
Smiles
Cl.Cc1ccc (cc1) C12CC1CNC2
Molecular Formula
C12H16ClN
Molecular Weight
209.715
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bicifadine Hydrochloride

See also: Bicifadine (has active moiety).

CAS Number66504-75-4
PubChem CID46783598
IUPAC Name(1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
Molecular FormulaC12H16ClN
Molecular Weight209.71
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity205
SMILES
CC1=CC=C(C=C1)[C@@]23C[C@@H]2CNC3.Cl
InChI
InChI=1S/C12H15N.ClH/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12;/h2-5,11,13H,6-8H2,1H3;1H/t11-,12+;/m1./s1
InChIKey
OTZOPAFTLUOBOM-LYCTWNKOSA-N
Chemical Structure
2D Structure
2D structure of Bicifadine Hydrochloride
CAS: 66504-75-4
CID: 46783598
Formula: C12H16ClN
MW: 209.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass209.0971272
Monoisotopic Mass209.0971272
Topological Polar Surface Area12 Ų
Heavy Atom Count14
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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