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Phenetrazine Hydrochloride

CAT: 0572-TRC-P296330-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P296330-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1956382-42-5
Synonyms
3-ethyl-2-phenyl-morpholine, monohydrochloride; 2-Phenyl-3-ethylmorpholine; 3-ethyl-2-Phenylmorpholine
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Cl.CCC1NCCOC1c2ccccc2
Molecular Formula
C12 H17 N O . Cl H
Molecular Weight
227.7304
InChI
InChI=1S/C12H17NO.ClH/c1-2-11-12(14-9-8-13-11)10-6-4-3-5-7-10;/h3-7,11-13H,2,8-9H2,1H3;1H
Additionnal Information
IUPAC name: 3-ethyl-2-phenylmorpholine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phenetrazine Hydrochloride
CAS Number1956382-42-5
PubChem CID118995215
IUPAC Name3-ethyl-2-phenylmorpholine;hydrochloride
Molecular FormulaC12H18ClNO
Molecular Weight227.73
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity166
SMILES
CCC1C(OCCN1)C2=CC=CC=C2.Cl
InChI
InChI=1S/C12H17NO.ClH/c1-2-11-12(14-9-8-13-11)10-6-4-3-5-7-10;/h3-7,11-13H,2,8-9H2,1H3;1H
InChIKey
JBDLPMIDSZBBQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenetrazine Hydrochloride
CAS: 1956382-42-5
CID: 118995215
Formula: C12H18ClNO
MW: 227.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass227.1076919
Monoisotopic Mass227.1076919
Topological Polar Surface Area21.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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